smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCc2sc(C([O-])=C(C#N)c3ccccn3)cc2C1 ZINC000046706061 1125469149 /nfs/dbraw/zinc/46/91/49/1125469149.db2.gz VWFCHVWVZXVWBY-DGCLKSJQSA-N -1 3 296.395 3.758 20 30 CHEDHM C#CC[C@@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001588421804 983442666 /nfs/dbraw/zinc/44/26/66/983442666.db2.gz OKSPZWSCLFECRL-IUODEOHRSA-N -1 3 299.395 3.862 20 30 CHEDHM CC(C)(C)O[C@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000852998887 1123417605 /nfs/dbraw/zinc/41/76/05/1123417605.db2.gz SVPQZNXPGHMSSN-AGGUKQCVSA-N -1 3 281.783 3.811 20 30 CHEDHM C#C[C@@H](CCC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130543 1131813841 /nfs/dbraw/zinc/81/38/41/1131813841.db2.gz BWONIFHWEQZMAK-ZDUSSCGKSA-N -1 3 274.360 3.728 20 30 CHEDHM Cc1cc(Cl)nc(Nc2ccc([O-])c(F)c2F)c1C#N ZINC001212005560 1125645166 /nfs/dbraw/zinc/64/51/66/1125645166.db2.gz NLBYDBIPQPFFTA-UHFFFAOYSA-N -1 3 295.676 3.643 20 30 CHEDHM O=C(c1ccccc1)N([O-])Cc1cccc2ccccc21 ZINC000899895256 1126709309 /nfs/dbraw/zinc/70/93/09/1126709309.db2.gz MYGKUXYKYMBSJH-UHFFFAOYSA-N -1 3 277.323 3.871 20 30 CHEDHM C=CC[C@@H](CC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000545279851 1128008875 /nfs/dbraw/zinc/00/88/75/1128008875.db2.gz WXBPXOCCYXXVLE-CQSZACIVSA-N -1 3 269.344 3.630 20 30 CHEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC001234144977 1128098543 /nfs/dbraw/zinc/09/85/43/1128098543.db2.gz YOUHWQBCYXOAPZ-VIFPVBQESA-N -1 3 275.254 3.682 20 30 CHEDHM CC[C@H](NCc1cc(C(C)C)no1)c1cccc(C#N)c1[O-] ZINC000925069932 1128121159 /nfs/dbraw/zinc/12/11/59/1128121159.db2.gz YLNMAROUSWXFOX-HNNXBMFYSA-N -1 3 299.374 3.616 20 30 CHEDHM C=C[C@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234854956 1128248920 /nfs/dbraw/zinc/24/89/20/1128248920.db2.gz ONIUMYFHUBZHNO-LBPRGKRZSA-N -1 3 256.330 3.931 20 30 CHEDHM CC1(C)C[C@H](/N=C\c2cc(Cl)ccc2[O-])C(C)(C)O1 ZINC000777874038 1128299428 /nfs/dbraw/zinc/29/94/28/1128299428.db2.gz YGOVZVRBGUZDIM-OLWAXZHHSA-N -1 3 281.783 3.811 20 30 CHEDHM CC(C)=CCC[C@H](C)CCN=Nc1nc(C)cc(=O)[n-]1 ZINC000916241883 1128413075 /nfs/dbraw/zinc/41/30/75/1128413075.db2.gz ZCGPTWFMWQMDON-LBPRGKRZSA-N -1 3 276.384 3.661 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccsc1 ZINC000915980699 1128399960 /nfs/dbraw/zinc/39/99/60/1128399960.db2.gz ZUUZKZKYBKBOTJ-VGOFMYFVSA-N -1 3 251.738 3.726 20 30 CHEDHM CC(=NNCC(C)C)c1ccc2ccccc2c1[O-] ZINC000916366340 1128417888 /nfs/dbraw/zinc/41/78/88/1128417888.db2.gz TZBUBDSLSNSKBR-UHFFFAOYSA-N -1 3 256.349 3.515 20 30 CHEDHM N#CC1(c2ccc([N-]c3nnc(-c4ccco4)o3)cc2)CC1 ZINC001212247736 1128669494 /nfs/dbraw/zinc/66/94/94/1128669494.db2.gz SRMCGSOMVDZQQW-UHFFFAOYSA-N -1 3 292.298 3.628 20 30 CHEDHM O=C(c1cccc(F)c1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901376836 1128679467 /nfs/dbraw/zinc/67/94/67/1128679467.db2.gz ZWEJITTVAOPTSF-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM Cc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728231257 1118059570 /nfs/dbraw/zinc/05/95/70/1118059570.db2.gz KNHPUDICVYMBML-VQHVLOKHSA-N -1 3 252.313 3.905 20 30 CHEDHM Cc1cc(C(=O)/C=C\C2=Cc3ccccc3OC2)ccc1[O-] ZINC000728232887 1118062930 /nfs/dbraw/zinc/06/29/30/1118062930.db2.gz XPASNNVXCUIBPS-VURMDHGXSA-N -1 3 292.334 3.916 20 30 CHEDHM C=CCN(CC=C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000212260858 1118077124 /nfs/dbraw/zinc/07/71/24/1118077124.db2.gz PGRMQWFHWSHUKO-ZDUSSCGKSA-N -1 3 299.292 3.505 20 30 CHEDHM C=CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1Cl ZINC000764443192 1118092415 /nfs/dbraw/zinc/09/24/15/1118092415.db2.gz UUGXXCOUUKOUOU-XQRVVYSFSA-N -1 3 288.734 3.571 20 30 CHEDHM CC[C@@H](C)[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051913 1118273583 /nfs/dbraw/zinc/27/35/83/1118273583.db2.gz LAWJIDNPXLZJMI-HUUCEWRRSA-N -1 3 277.408 3.909 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](C)CSC(F)(F)F ZINC001649056640 1118283011 /nfs/dbraw/zinc/28/30/11/1118283011.db2.gz DVDZSHZGEUCQDI-VIFPVBQESA-N -1 3 287.347 3.674 20 30 CHEDHM CCCCN([O-])C(=O)C[C@@H]1CCCc2ccccc21 ZINC001649061216 1118293423 /nfs/dbraw/zinc/29/34/23/1118293423.db2.gz ITBBIJPDCANRHM-AWEZNQCLSA-N -1 3 261.365 3.515 20 30 CHEDHM CC[C@H](CC(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649069878 1118312498 /nfs/dbraw/zinc/31/24/98/1118312498.db2.gz KPVHWDBXBDTVCU-CYBMUJFWSA-N -1 3 267.344 3.616 20 30 CHEDHM CC(C)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255356470 1118664113 /nfs/dbraw/zinc/66/41/13/1118664113.db2.gz GGOPJLNOMUTLEG-UHFFFAOYSA-N -1 3 271.316 3.677 20 30 CHEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000121509291 1118724966 /nfs/dbraw/zinc/72/49/66/1118724966.db2.gz GDGBIALJJHPRGV-NSHDSACASA-N -1 3 284.384 3.931 20 30 CHEDHM CC(=NNc1ccc2ccccc2n1)c1ccc([O-])c(F)c1 ZINC000728427028 1118928834 /nfs/dbraw/zinc/92/88/34/1118928834.db2.gz FWNKOBQPHMYCNC-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM CC(=NNc1cccc2cnccc21)c1cc(F)ccc1[O-] ZINC000728432402 1118938402 /nfs/dbraw/zinc/93/84/02/1118938402.db2.gz SQABSDUMACROHO-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM C=CCCCN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354437588 1120205030 /nfs/dbraw/zinc/20/50/30/1120205030.db2.gz AFRLLYHSYLPGJI-UHFFFAOYSA-N -1 3 269.344 3.584 20 30 CHEDHM CCCCCCC[C@@H](C)C[N-]C(=O)C(F)(F)F ZINC000725889207 1120280733 /nfs/dbraw/zinc/28/07/33/1120280733.db2.gz TYQBOGONSXTMKI-SNVBAGLBSA-N -1 3 253.308 3.662 20 30 CHEDHM C=CC(C)(C)CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000628314143 1120920603 /nfs/dbraw/zinc/92/06/03/1120920603.db2.gz NVVTZPZDERKIRJ-UHFFFAOYSA-N -1 3 293.382 3.573 20 30 CHEDHM COc1c(C)cc(Nc2cc(C#N)ccc2[O-])cc1C ZINC001174999187 1121125721 /nfs/dbraw/zinc/12/57/21/1121125721.db2.gz MWSRBYHDIDTQTH-UHFFFAOYSA-N -1 3 268.316 3.633 20 30 CHEDHM CCOc1cccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001175225195 1121231556 /nfs/dbraw/zinc/23/15/56/1121231556.db2.gz NZYNNNDANXEYSC-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM CCOc1ccc(F)c(F)c1Nc1cc(C#N)ccc1[O-] ZINC001175283393 1121251860 /nfs/dbraw/zinc/25/18/60/1121251860.db2.gz RMRGESINDRCGIQ-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM Cc1ccc(C#N)cc1Nc1c(F)ccc([O-])c1F ZINC001175269060 1121268900 /nfs/dbraw/zinc/26/89/00/1121268900.db2.gz ZDKCICBLCAUSFK-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1c(C)cccc1[O-] ZINC000625758758 1121488169 /nfs/dbraw/zinc/48/81/69/1121488169.db2.gz GMCOJBNTCGGXFB-UHFFFAOYSA-N -1 3 261.365 3.519 20 30 CHEDHM N#Cc1ccc(Nc2cc([O-])cc(Cl)c2)c(F)c1 ZINC001176624846 1121664254 /nfs/dbraw/zinc/66/42/54/1121664254.db2.gz VNBZZBRDHIXRIZ-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(F)c(Cl)c2F)c1 ZINC001213205636 1121718486 /nfs/dbraw/zinc/71/84/86/1121718486.db2.gz NSGXRVVVPKMBIG-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1noc([N-]c2c(F)cc(OC(C)C)cc2F)c1C#N ZINC001249771864 1121733285 /nfs/dbraw/zinc/73/32/85/1121733285.db2.gz AATCBVNAGNHHRP-UHFFFAOYSA-N -1 3 293.273 3.664 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccs1 ZINC000730586307 1121815243 /nfs/dbraw/zinc/81/52/43/1121815243.db2.gz DRERAFXZSPYLHA-VKHJRQFRSA-N -1 3 274.316 3.976 20 30 CHEDHM C#CC[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccccn1 ZINC000733691504 1122005415 /nfs/dbraw/zinc/00/54/15/1122005415.db2.gz URZXZHFEXNWGHS-CQSZACIVSA-N -1 3 296.351 3.546 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1cccs1 ZINC001184305605 1122267359 /nfs/dbraw/zinc/26/73/59/1122267359.db2.gz NKWXEMBQPJREBD-NSHDSACASA-N -1 3 255.383 3.650 20 30 CHEDHM CCCCN([O-])C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001184315033 1122268523 /nfs/dbraw/zinc/26/85/23/1122268523.db2.gz PMUSTHFOVLTOAR-UHFFFAOYSA-N -1 3 276.163 3.554 20 30 CHEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)C1CCC1 ZINC001184293492 1122269400 /nfs/dbraw/zinc/26/94/00/1122269400.db2.gz VOOGWMIBMQBHTG-CQSZACIVSA-N -1 3 275.392 3.663 20 30 CHEDHM CCCCCCCCNC(=O)Nc1ncc([O-])cc1Cl ZINC001191051856 1122566065 /nfs/dbraw/zinc/56/60/65/1122566065.db2.gz DUYFAYVCDAYAIY-UHFFFAOYSA-N -1 3 299.802 3.923 20 30 CHEDHM CCCCCCCOC(=O)Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001193994545 1122742076 /nfs/dbraw/zinc/74/20/76/1122742076.db2.gz YGVWPAKGIRVBQS-UHFFFAOYSA-N -1 3 293.367 3.579 20 30 CHEDHM Cc1cccc(NC(=S)Nc2ccc([O-])c(C#N)c2)c1C ZINC001196420418 1122922164 /nfs/dbraw/zinc/92/21/64/1122922164.db2.gz IGERCPMDLDDKTG-UHFFFAOYSA-N -1 3 297.383 3.690 20 30 CHEDHM CSc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n[n-]1 ZINC000328751999 1123109457 /nfs/dbraw/zinc/10/94/57/1123109457.db2.gz CQSZADPLKGZMQB-HBNTYKKESA-N -1 3 294.424 3.721 20 30 CHEDHM N#CC1(c2ccc(-c3ccc(=O)[n-]c3F)s2)CCC1 ZINC000854189545 1123474041 /nfs/dbraw/zinc/47/40/41/1123474041.db2.gz MHACBOHURQVQPJ-UHFFFAOYSA-N -1 3 274.320 3.600 20 30 CHEDHM N#Cc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000011808696 1123610457 /nfs/dbraw/zinc/61/04/57/1123610457.db2.gz PYDKCMTXGMYEOE-UHFFFAOYSA-N -1 3 295.125 3.550 20 30 CHEDHM CS[C@@H]1CCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125222 1123846302 /nfs/dbraw/zinc/84/63/02/1123846302.db2.gz QGJDPXJCRIJSGY-LLVKDONJSA-N -1 3 290.417 3.586 20 30 CHEDHM CC(CC1CC1)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128225 1123847257 /nfs/dbraw/zinc/84/72/57/1123847257.db2.gz IHOXZRWQKVTJMC-UHFFFAOYSA-N -1 3 272.377 3.880 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000794926016 1124074685 /nfs/dbraw/zinc/07/46/85/1124074685.db2.gz HIUZCMBGZSVWAO-VURMDHGXSA-N -1 3 260.239 3.567 20 30 CHEDHM Cc1ccc2c(c1)C/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794935762 1124093035 /nfs/dbraw/zinc/09/30/35/1124093035.db2.gz UCCQYVFRTQRFIS-FLIBITNWSA-N -1 3 286.277 3.801 20 30 CHEDHM Cc1ccc2c(cccc2Nc2cc(C#N)ccc2[O-])n1 ZINC001212797823 1125445341 /nfs/dbraw/zinc/44/53/41/1125445341.db2.gz MIUSJNNDCFKIKF-UHFFFAOYSA-N -1 3 275.311 3.864 20 30 CHEDHM N#Cc1cc2c(cccc2-c2cc(F)ccc2[O-])[nH]1 ZINC001240697928 1129322648 /nfs/dbraw/zinc/32/26/48/1129322648.db2.gz XSXMFUDDUVSFJK-UHFFFAOYSA-N -1 3 252.248 3.551 20 30 CHEDHM N#CC1(c2ccc(-c3ccc([O-])c(F)c3)cc2)CC1 ZINC001240786892 1129355332 /nfs/dbraw/zinc/35/53/32/1129355332.db2.gz AFPFECACDNZAIZ-UHFFFAOYSA-N -1 3 253.276 3.753 20 30 CHEDHM C=CCN(C(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000641896887 1129396866 /nfs/dbraw/zinc/39/68/66/1129396866.db2.gz MEFWFAVEKIKKPQ-UHFFFAOYSA-N -1 3 267.328 3.533 20 30 CHEDHM CC(C)(C)CN(CCC#N)Cc1cc(Cl)ccc1[O-] ZINC000093101176 1129417474 /nfs/dbraw/zinc/41/74/74/1129417474.db2.gz ZHGIJLUXEVBTNP-UHFFFAOYSA-N -1 3 280.799 3.807 20 30 CHEDHM Cc1cccn2c(/C=C\C(=O)c3ccc([O-])c(C)c3)cnc12 ZINC000741468302 1129436986 /nfs/dbraw/zinc/43/69/86/1129436986.db2.gz VKXRHZZHHFMGDM-VURMDHGXSA-N -1 3 292.338 3.553 20 30 CHEDHM Cc1ncsc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000742432416 1129479293 /nfs/dbraw/zinc/47/92/93/1129479293.db2.gz WBUPFPCHIJBQOX-VYVBZAQUSA-N -1 3 289.331 3.680 20 30 CHEDHM CCC1(C/N=C\c2cc(Cl)ccc2[O-])CCOCC1 ZINC000745976475 1129621337 /nfs/dbraw/zinc/62/13/37/1129621337.db2.gz IOPQJYLKHZZAEF-YVLHZVERSA-N -1 3 281.783 3.671 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(C#N)c(C)c2)ccc1[O-] ZINC000766489802 1129669639 /nfs/dbraw/zinc/66/96/39/1129669639.db2.gz GOBXMQSWVACJOF-QPJJXVBHSA-N -1 3 277.323 3.777 20 30 CHEDHM COc1c(Cl)ccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001212586336 1129706961 /nfs/dbraw/zinc/70/69/61/1129706961.db2.gz RVCPJKAXJUTOLV-UHFFFAOYSA-N -1 3 292.697 3.809 20 30 CHEDHM N#CCc1cc(Nc2ccc(Cl)c([O-])c2)ccc1F ZINC001212595322 1129757094 /nfs/dbraw/zinc/75/70/94/1129757094.db2.gz NZEWUMWMZQVUGY-UHFFFAOYSA-N -1 3 276.698 3.994 20 30 CHEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000767340570 1129786655 /nfs/dbraw/zinc/78/66/55/1129786655.db2.gz BKJXUAULYNEBJX-FENQTLIPSA-N -1 3 293.794 3.670 20 30 CHEDHM CCc1nc2ccccc2n1N=Cc1cc(Cl)ccc1[O-] ZINC000767373770 1129789953 /nfs/dbraw/zinc/78/99/53/1129789953.db2.gz OVAVSVGHLLPVHT-UHFFFAOYSA-N -1 3 299.761 3.840 20 30 CHEDHM O=C(C[C@@H]1CCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000900094019 1129863761 /nfs/dbraw/zinc/86/37/61/1129863761.db2.gz GBRULNKHPICBSF-HNNXBMFYSA-N -1 3 299.345 3.664 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCCC12CCOCC2 ZINC000800722158 1129886406 /nfs/dbraw/zinc/88/64/06/1129886406.db2.gz XGNXNAPHXGWYPB-LZNAANCOSA-N -1 3 293.794 3.814 20 30 CHEDHM CC(C)CCN(CCC#N)Cc1c([O-])cccc1Cl ZINC000769334926 1129903244 /nfs/dbraw/zinc/90/32/44/1129903244.db2.gz HSBZEESQEQTNLQ-UHFFFAOYSA-N -1 3 280.799 3.807 20 30 CHEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)C1CC1 ZINC000901370239 1129917556 /nfs/dbraw/zinc/91/75/56/1129917556.db2.gz VPQVCUXYSUBPQP-LBPRGKRZSA-N -1 3 269.344 3.604 20 30 CHEDHM C[C@@H](CC1CCCC1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372149 1129917764 /nfs/dbraw/zinc/91/77/64/1129917764.db2.gz SEDIUJUDJXHOEK-LBPRGKRZSA-N -1 3 279.355 3.760 20 30 CHEDHM O=C([C@@H]1CCCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901376398 1129918131 /nfs/dbraw/zinc/91/81/31/1129918131.db2.gz RYURCKBMDATQAP-QGZVFWFLSA-N -1 3 299.345 3.664 20 30 CHEDHM CCCC(CCC)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376669 1129918227 /nfs/dbraw/zinc/91/82/27/1129918227.db2.gz YBLMRCBXJCTLRJ-UHFFFAOYSA-N -1 3 267.344 3.760 20 30 CHEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901372552 1129918507 /nfs/dbraw/zinc/91/85/07/1129918507.db2.gz GTBIQADNXHLOOW-IUHNQTRMSA-N -1 3 295.382 3.850 20 30 CHEDHM CCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379495 1129918870 /nfs/dbraw/zinc/91/88/70/1129918870.db2.gz CDOPJBHAYUWOPD-UHFFFAOYSA-N -1 3 276.163 3.901 20 30 CHEDHM CC(C)Oc1ccc(N=Cc2cccc([O-])c2O)cc1C#N ZINC000771838014 1129990276 /nfs/dbraw/zinc/99/02/76/1129990276.db2.gz ZXKUETWJVCRLNQ-UHFFFAOYSA-N -1 3 296.326 3.507 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3[nH]ccc3c2)c1 ZINC001239695986 1130059088 /nfs/dbraw/zinc/05/90/88/1130059088.db2.gz JWYYMXPTYQDGSP-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM C=C[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000785996615 1130073323 /nfs/dbraw/zinc/07/33/23/1130073323.db2.gz GBLFQISYEFHNJO-CQSZACIVSA-N -1 3 293.794 3.789 20 30 CHEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cc2occc2[n-]1 ZINC000786033526 1130073789 /nfs/dbraw/zinc/07/37/89/1130073789.db2.gz KYIARFQIALIXIN-UHFFFAOYSA-N -1 3 299.713 3.623 20 30 CHEDHM CC(C)Oc1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001239968792 1130178281 /nfs/dbraw/zinc/17/82/81/1130178281.db2.gz FGGVWYCSWBSLBE-GZTJUZNOSA-N -1 3 255.317 3.949 20 30 CHEDHM COc1cc(F)ccc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001240000463 1130188218 /nfs/dbraw/zinc/18/82/18/1130188218.db2.gz MVSXXTPGJBATFW-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2ccc(N3CCCC3)cc2)c1 ZINC001240590854 1130375776 /nfs/dbraw/zinc/37/57/76/1130375776.db2.gz DMAKXLZKXLZXSA-XDHOZWIPSA-N -1 3 284.334 3.901 20 30 CHEDHM N#Cc1cc2[nH]ccc2c(-c2cc(F)ccc2[O-])c1 ZINC001240697823 1130424619 /nfs/dbraw/zinc/42/46/19/1130424619.db2.gz AHSSLKGERBLPQE-UHFFFAOYSA-N -1 3 252.248 3.551 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3cc[nH]c3c2)c1 ZINC001240798722 1130478530 /nfs/dbraw/zinc/47/85/30/1130478530.db2.gz WBOBVLFNMXFLBS-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM CCC(N=Nc1cccc(Cl)n1)c1ccc([O-])c(F)c1 ZINC000793163302 1130522644 /nfs/dbraw/zinc/52/26/44/1130522644.db2.gz ILERXFGMEFEYBW-UHFFFAOYSA-N -1 3 293.729 3.806 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234140880 1130611375 /nfs/dbraw/zinc/61/13/75/1130611375.db2.gz KWNODNSYLKZTCP-YOEHRIQHSA-N -1 3 269.344 3.944 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](Oc2cc([O-])cc(C#N)c2)C(C)(C)O1 ZINC001234144563 1130611832 /nfs/dbraw/zinc/61/18/32/1130611832.db2.gz QKIFDUHDIQFDCO-RDJZCZTQSA-N -1 3 287.359 3.545 20 30 CHEDHM C=C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234144512 1130612250 /nfs/dbraw/zinc/61/22/50/1130612250.db2.gz PIIGFARBSJVZAT-MRXNPFEDSA-N -1 3 251.285 3.570 20 30 CHEDHM CC(=NOCC(F)F)c1ccc2ccccc2c1[O-] ZINC000758912176 1130630559 /nfs/dbraw/zinc/63/05/59/1130630559.db2.gz UKNSNEKVTQMUAN-UHFFFAOYSA-N -1 3 265.259 3.551 20 30 CHEDHM C=C[C@@H](CCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791603 1130677451 /nfs/dbraw/zinc/67/74/51/1130677451.db2.gz QFQUGBIOHBFRLB-LBPRGKRZSA-N -1 3 278.348 3.645 20 30 CHEDHM N#C[C@@H]1CCCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234993778 1130701121 /nfs/dbraw/zinc/70/11/21/1130701121.db2.gz BFJUVZRFPAZAJD-KRWDZBQOSA-N -1 3 292.382 3.937 20 30 CHEDHM COc1cc(C)c(/C=C\C(=O)c2ccc([O-])c(C)c2)c(C)n1 ZINC000781548510 1130724607 /nfs/dbraw/zinc/72/46/07/1130724607.db2.gz CJNLEFYLTUHEOU-VURMDHGXSA-N -1 3 297.354 3.617 20 30 CHEDHM CC(=NOCCC1CC1)c1cc(Br)ccc1[O-] ZINC000814245777 1130847801 /nfs/dbraw/zinc/84/78/01/1130847801.db2.gz HUJYQIYVRCWEOZ-UHFFFAOYSA-N -1 3 298.180 3.695 20 30 CHEDHM Cc1ccc(F)c(-c2ccc3cc(C#N)cnc3c2)c1[O-] ZINC001236414246 1130932420 /nfs/dbraw/zinc/93/24/20/1130932420.db2.gz IJXIQZLXVMOLNN-UHFFFAOYSA-N -1 3 278.286 3.927 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000814933388 1130939082 /nfs/dbraw/zinc/93/90/82/1130939082.db2.gz MVELTZAMOIRLMI-UHFFFAOYSA-N -1 3 294.128 3.821 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCCC(F)(F)F ZINC000799743064 1131107680 /nfs/dbraw/zinc/10/76/80/1131107680.db2.gz UHMCRPFTRBRHRV-FRKPEAEDSA-N -1 3 265.662 3.807 20 30 CHEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000818991780 1131224681 /nfs/dbraw/zinc/22/46/81/1131224681.db2.gz JNEJPBQEBZYGEI-KBOIDVANSA-N -1 3 296.086 3.524 20 30 CHEDHM C#CCN(Cc1c([O-])cccc1F)[C@@H]1CCc2ccccc21 ZINC001137837442 1131421785 /nfs/dbraw/zinc/42/17/85/1131421785.db2.gz HDPVEGGXPBPLGA-GOSISDBHSA-N -1 3 295.357 3.654 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000844703630 1131594920 /nfs/dbraw/zinc/59/49/20/1131594920.db2.gz HKGWPLAFNOUNJZ-SECBINFHSA-N -1 3 297.424 3.631 20 30 CHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(C(C)C)cc2)o1 ZINC001202915912 1131599960 /nfs/dbraw/zinc/59/99/60/1131599960.db2.gz JMFQREPLNUWTQC-UHFFFAOYSA-N -1 3 284.319 3.622 20 30 CHEDHM C=CCN(Cc1sccc1C(=O)[O-])Cc1ccccc1 ZINC001144677588 1131680349 /nfs/dbraw/zinc/68/03/49/1131680349.db2.gz WLUPYSNKNXNBHW-UHFFFAOYSA-N -1 3 287.384 3.635 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000846549163 1131713491 /nfs/dbraw/zinc/71/34/91/1131713491.db2.gz NELKHRRQEPVHIQ-NEPJUHHUSA-N -1 3 281.783 3.531 20 30 CHEDHM C=C(C)CO[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000846536803 1131714379 /nfs/dbraw/zinc/71/43/79/1131714379.db2.gz AUQBESQLTPAPJE-CQSZACIVSA-N -1 3 261.365 3.503 20 30 CHEDHM C=CC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938543 1131771431 /nfs/dbraw/zinc/77/14/31/1131771431.db2.gz WGSGOJYKNWVINZ-GFCCVEGCSA-N -1 3 298.338 3.672 20 30 CHEDHM C=CC[C@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001228623185 1131923806 /nfs/dbraw/zinc/92/38/06/1131923806.db2.gz PNPQGHIQDHJEAX-AWEZNQCLSA-N -1 3 288.343 3.787 20 30 CHEDHM C=CC[C@@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)C(C)C ZINC001228623186 1131924665 /nfs/dbraw/zinc/92/46/65/1131924665.db2.gz PNPQGHIQDHJEAX-CQSZACIVSA-N -1 3 288.343 3.787 20 30 CHEDHM C=CC[C@@H](Oc1cc2c(cc1[O-])CCC2=O)C(C)C ZINC001228855343 1131966374 /nfs/dbraw/zinc/96/63/74/1131966374.db2.gz FTMCFEJRDQQQSU-OAHLLOKOSA-N -1 3 260.333 3.501 20 30 CHEDHM C#C[C@@H]1CCC[C@H]1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228957218 1131986243 /nfs/dbraw/zinc/98/62/43/1131986243.db2.gz DTGZEBUEGQDYQG-CXAGYDPISA-N -1 3 286.371 3.899 20 30 CHEDHM C#CC[C@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958143 1131986761 /nfs/dbraw/zinc/98/67/61/1131986761.db2.gz IQSFPZGIDXJTSU-NSHDSACASA-N -1 3 260.333 3.509 20 30 CHEDHM C/C(=N\[O-])c1ccccc1O[C@H]1CCc2ccccc21 ZINC001229741148 1132113266 /nfs/dbraw/zinc/11/32/66/1132113266.db2.gz MMSZWZNXZLYFGE-BOFQVRIASA-N -1 3 267.328 3.951 20 30 CHEDHM CCO[C@@H](C)COc1ccccc1/C=N/c1ccccc1[O-] ZINC001229938295 1132134314 /nfs/dbraw/zinc/13/43/14/1132134314.db2.gz UFFFGHKCLNTHDS-BXUJETTOSA-N -1 3 299.370 3.947 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229953983 1132134993 /nfs/dbraw/zinc/13/49/93/1132134993.db2.gz GXWGFCVYKRVBKD-BBRMVZONSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229953983 1132134999 /nfs/dbraw/zinc/13/49/99/1132134999.db2.gz GXWGFCVYKRVBKD-BBRMVZONSA-N -1 3 296.374 3.547 20 30 CHEDHM COCC1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000840714235 1132276038 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C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233677896 1132662505 /nfs/dbraw/zinc/66/25/05/1132662505.db2.gz PMJRITOBAUDGKJ-UGSOOPFHSA-N -1 3 284.355 3.942 20 30 CHEDHM C=C[C@H](CCCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233806873 1132682619 /nfs/dbraw/zinc/68/26/19/1132682619.db2.gz JRAGHKQZTBFODM-KWWJGWKXSA-N -1 3 263.337 3.627 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccccc1 ZINC001233800846 1132681334 /nfs/dbraw/zinc/68/13/34/1132681334.db2.gz SXMMJPAOPWCZAO-OOIIIRTPSA-N -1 3 271.316 3.643 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001233802907 1132681668 /nfs/dbraw/zinc/68/16/68/1132681668.db2.gz JXZUSZVLXCVZMH-OBQHLZHRSA-N -1 3 277.364 3.707 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1cccc(C)c1 ZINC001233803503 1132681694 /nfs/dbraw/zinc/68/16/94/1132681694.db2.gz QIPKNQZREVULEV-FHXOWUIVSA-N -1 3 285.343 3.952 20 30 CHEDHM N#C[C@@H](Nc1[n-]c(=O)c(Cl)cc1Cl)c1ccccc1 ZINC001161711955 1133017650 /nfs/dbraw/zinc/01/76/50/1133017650.db2.gz 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1134624140 /nfs/dbraw/zinc/62/41/40/1134624140.db2.gz KAEDKJDPUHNCRI-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM COCc1cc(C)c(Nc2cc(C#N)ccc2[O-])c(C)c1 ZINC001215531722 1134639859 /nfs/dbraw/zinc/63/98/59/1134639859.db2.gz YJTRGCZWPQWSDU-UHFFFAOYSA-N -1 3 282.343 3.771 20 30 CHEDHM Cc1noc([N-]c2cc(F)cc(F)c2Cl)c1C#N ZINC001215952491 1134728909 /nfs/dbraw/zinc/72/89/09/1134728909.db2.gz XCEZRGLLDGTDQK-UHFFFAOYSA-N -1 3 269.638 3.530 20 30 CHEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])c(C)c1C ZINC001215974550 1134737781 /nfs/dbraw/zinc/73/77/81/1134737781.db2.gz SFCBYWTWJYCZJB-UHFFFAOYSA-N -1 3 268.316 3.633 20 30 CHEDHM Cc1cc(Nc2ccc(C#N)cc2F)cc([O-])c1F ZINC001216080833 1134770563 /nfs/dbraw/zinc/77/05/63/1134770563.db2.gz MAVUORKRFVBDDY-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1c(C#N)cccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001216174557 1134794407 /nfs/dbraw/zinc/79/44/07/1134794407.db2.gz NKBHDKHEBQYDJL-UHFFFAOYSA-N -1 3 290.326 3.502 20 30 CHEDHM CC(C)(C)c1noc([N-]c2cccc(C#N)c2F)c1C#N ZINC001216413275 1134888195 /nfs/dbraw/zinc/88/81/95/1134888195.db2.gz KUQNLXNNVIROTD-UHFFFAOYSA-N -1 3 284.294 3.598 20 30 CHEDHM Cc1cc(C#N)cc(C)c1-c1cccc(/C=N/[O-])c1 ZINC001222662742 1135261929 /nfs/dbraw/zinc/26/19/29/1135261929.db2.gz CKPNFDXHBHUAED-VCHYOVAHSA-N -1 3 250.301 3.650 20 30 CHEDHM Cc1cc(C#N)cc(C)c1-c1ccc(/C=N/[O-])c(F)c1 ZINC001222667295 1135262874 /nfs/dbraw/zinc/26/28/74/1135262874.db2.gz XAHRUDYZIMRINA-DJKKODMXSA-N -1 3 268.291 3.789 20 30 CHEDHM [O-]/N=C(\O[C@@H](c1ccccc1)C(F)(F)F)c1ccccn1 ZINC001223977266 1135404738 /nfs/dbraw/zinc/40/47/38/1135404738.db2.gz IQHJXGXAOPBKLW-XLCLWTIASA-N -1 3 296.248 3.538 20 30 CHEDHM C=CC[C@H](CCCC)Oc1ccc2c([O-])coc2c1 ZINC001225341052 1135548294 /nfs/dbraw/zinc/54/82/94/1135548294.db2.gz WSXFTOVROGAWQM-GFCCVEGCSA-N -1 3 260.333 3.775 20 30 CHEDHM C=CC[C@H](Oc1[n-]c(=S)ncc1C)c1ccccc1 ZINC001225742003 1135616974 /nfs/dbraw/zinc/61/69/74/1135616974.db2.gz FOBQRAIGMIIUTJ-ZDUSSCGKSA-N -1 3 272.373 3.770 20 30 CHEDHM CC[C@@H](C#Cc1ccccc1)Oc1cc(C(C)=O)ccc1[O-] ZINC001225995948 1135649550 /nfs/dbraw/zinc/64/95/50/1135649550.db2.gz VMTURHNFONWUJJ-KRWDZBQOSA-N -1 3 294.350 3.804 20 30 CHEDHM COc1cccc([C@H](C)Oc2cccc(/C=N/[O-])c2)c1 ZINC001226113827 1135664380 /nfs/dbraw/zinc/66/43/80/1135664380.db2.gz ALTXMNNNARRESL-OOIIIRTPSA-N -1 3 271.316 3.643 20 30 CHEDHM C=CC[C@@H](CCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226481405 1135702561 /nfs/dbraw/zinc/70/25/61/1135702561.db2.gz GGNGXXDRWCKXBE-LBPRGKRZSA-N -1 3 278.348 3.814 20 30 CHEDHM N#C[C@H](Oc1cccc([O-])c1Cl)c1ccccc1F ZINC001226710110 1135732633 /nfs/dbraw/zinc/73/26/33/1135732633.db2.gz VYWRBLIFIFLBDF-ZDUSSCGKSA-N -1 3 277.682 3.828 20 30 CHEDHM C=CCOc1ccccc1[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351709 1135824517 /nfs/dbraw/zinc/82/45/17/1135824517.db2.gz XRTAFEAABJCRND-ZDUSSCGKSA-N -1 3 295.338 3.969 20 30 CHEDHM CC[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1F ZINC001227351230 1135825292 /nfs/dbraw/zinc/82/52/92/1135825292.db2.gz SWQVPDHFVZJEBL-HNNXBMFYSA-N -1 3 271.291 3.933 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cc(C#N)ccc2[O-])O1 ZINC001227351853 1135825447 /nfs/dbraw/zinc/82/54/47/1135825447.db2.gz ZCVLWZVFLUABNI-WBVHZDCISA-N -1 3 287.359 3.545 20 30 CHEDHM CSc1ccccc1[N-]C(=O)c1ccc(C#N)s1 ZINC000336455757 227024521 /nfs/dbraw/zinc/02/45/21/227024521.db2.gz MWEJLDJGARQVQC-UHFFFAOYSA-N -1 3 274.370 3.594 20 30 CHEDHM CC1(C)[C@@H](/N=C/c2c([O-])ccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000078052678 260299413 /nfs/dbraw/zinc/29/94/13/260299413.db2.gz UXYMZXLCDKUGET-BDKJESFYSA-N -1 3 295.382 3.778 20 30 CHEDHM CC(C)c1noc([N-][C@@H](CCC#N)c2ccccc2)n1 ZINC000164280143 261345615 /nfs/dbraw/zinc/34/56/15/261345615.db2.gz UZTKTYSMYZPRIB-ZDUSSCGKSA-N -1 3 270.336 3.650 20 30 CHEDHM CC(C)c1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000331227779 264151347 /nfs/dbraw/zinc/15/13/47/264151347.db2.gz DSHQHAWBHXQGSM-CYBMUJFWSA-N -1 3 291.391 3.778 20 30 CHEDHM CC(=O)c1ccc(C(=O)NC2CCC(C)(C)CC2)cc1[O-] ZINC000331359009 264209127 /nfs/dbraw/zinc/20/91/27/264209127.db2.gz VXMFBMPUVMSHKR-UHFFFAOYSA-N -1 3 289.375 3.868 20 30 CHEDHM CCCCCCCCOCC(=O)[N-]c1onc(C)c1C ZINC000267085200 328172544 /nfs/dbraw/zinc/17/25/44/328172544.db2.gz CSXHBVBCDJGIBS-UHFFFAOYSA-N -1 3 282.384 3.607 20 30 CHEDHM CCOc1cc(CN(CCC#N)C(C)C)cc(Cl)c1[O-] ZINC000582770797 329160344 /nfs/dbraw/zinc/16/03/44/329160344.db2.gz HDAPLMQMAIGANW-UHFFFAOYSA-N -1 3 296.798 3.568 20 30 CHEDHM CO[C@](C)(C/N=C/c1c([O-])ccc2ccccc21)C1CC1 ZINC000290886554 328260835 /nfs/dbraw/zinc/26/08/35/328260835.db2.gz CLASQTNHEZKACV-HDAJJNEKSA-N -1 3 283.371 3.779 20 30 CHEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000557402760 327004392 /nfs/dbraw/zinc/00/43/92/327004392.db2.gz YIONIHBDZBOZNR-INIZCTEOSA-N -1 3 274.364 3.568 20 30 CHEDHM C=CCN(CCc1ccccc1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000566358963 327335063 /nfs/dbraw/zinc/33/50/63/327335063.db2.gz AMSBOLLJWJJDBI-AWEZNQCLSA-N -1 3 299.370 3.770 20 30 CHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(F)cc2)n1 ZINC000080450890 330130979 /nfs/dbraw/zinc/13/09/79/330130979.db2.gz HRXNRHBGWAJCPC-GFCCVEGCSA-N -1 3 288.347 3.896 20 30 CHEDHM CC[C@H](C#N)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436605266 330681302 /nfs/dbraw/zinc/68/13/02/330681302.db2.gz LBAHRZAKAXKLHC-CYBMUJFWSA-N -1 3 288.391 3.671 20 30 CHEDHM C=CCOc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436705883 330683071 /nfs/dbraw/zinc/68/30/71/330683071.db2.gz AQQXUADRSMNSBR-UHFFFAOYSA-N -1 3 283.327 3.518 20 30 CHEDHM C=CC(C)(C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000449885270 330953291 /nfs/dbraw/zinc/95/32/91/330953291.db2.gz DNELSRNYDCQWFP-UHFFFAOYSA-N -1 3 253.729 3.505 20 30 CHEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc([O-])c(C)c1 ZINC000498536906 332016552 /nfs/dbraw/zinc/01/65/52/332016552.db2.gz NEGVTUHYDQAKSQ-UHFFFAOYSA-N -1 3 295.382 3.572 20 30 CHEDHM CC(C)(C)c1ccc(NC(=O)c2cccc(C#N)c2)c([O-])c1 ZINC000501943583 332643718 /nfs/dbraw/zinc/64/37/18/332643718.db2.gz CITZKOPJNLKGHQ-UHFFFAOYSA-N -1 3 294.354 3.814 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000184837798 333132583 /nfs/dbraw/zinc/13/25/83/333132583.db2.gz SEFYCVAGSUNSGK-SECBINFHSA-N -1 3 298.180 3.696 20 30 CHEDHM CC#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000184838213 333132636 /nfs/dbraw/zinc/13/26/36/333132636.db2.gz DQGJDVPBEIPGQO-UHFFFAOYSA-N -1 3 285.265 3.543 20 30 CHEDHM C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc(C)cc1 ZINC000530272097 333531052 /nfs/dbraw/zinc/53/10/52/333531052.db2.gz KBBFBJYUIMHEIG-ZDUSSCGKSA-N -1 3 297.402 3.656 20 30 CHEDHM N#CC(=C([O-])c1cccc2ccsc21)c1ccccn1 ZINC000343909732 335226395 /nfs/dbraw/zinc/22/63/95/335226395.db2.gz AUSDPMJTXRULDM-ZDUSSCGKSA-N -1 3 278.336 3.786 20 30 CHEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c(C)c1 ZINC000353877921 526364865 /nfs/dbraw/zinc/36/48/65/526364865.db2.gz CRZSNAKPGCWEJJ-UHFFFAOYSA-N -1 3 299.345 3.668 20 30 CHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc([O-])c1 ZINC000352196747 526567838 /nfs/dbraw/zinc/56/78/38/526567838.db2.gz DUZQJCZDGABIQP-UHFFFAOYSA-N -1 3 281.355 3.611 20 30 CHEDHM CC(C)(C)c1csc([N-]C(=O)c2cncs2)c1C#N ZINC000334831482 526837927 /nfs/dbraw/zinc/83/79/27/526837927.db2.gz ZPOPZHIUKLHDJK-UHFFFAOYSA-N -1 3 291.401 3.626 20 30 CHEDHM CC1CC(NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000330244831 528155193 /nfs/dbraw/zinc/15/51/93/528155193.db2.gz XKBLGKABLJFTDL-UHFFFAOYSA-N -1 3 295.795 3.895 20 30 CHEDHM N#Cc1cc(Nc2cccc([O-])c2F)ccc1Cl ZINC001212550641 1121285926 /nfs/dbraw/zinc/28/59/26/1121285926.db2.gz XERYJELYRAHOEL-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM C=CCC1(C(=O)N([O-])CCCCCC)CCCC1 ZINC001184314747 1122267391 /nfs/dbraw/zinc/26/73/91/1122267391.db2.gz IVONUBOGBPKMQT-UHFFFAOYSA-N -1 3 253.386 3.921 20 30 CHEDHM C=C(C)C[C@H](Oc1ncc(Br)cc1[O-])C(=C)C ZINC001228954618 1131984993 /nfs/dbraw/zinc/98/49/93/1131984993.db2.gz FSPJQLZTWLSVLY-LBPRGKRZSA-N -1 3 298.180 3.839 20 30 CHEDHM CCCCN(CC#N)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454673 1132625749 /nfs/dbraw/zinc/62/57/49/1132625749.db2.gz FDGYLAOKLDFOTR-UHFFFAOYSA-N -1 3 286.297 3.537 20 30 CHEDHM O=C(c1[nH]ccc1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904192916 1126838116 /nfs/dbraw/zinc/83/81/16/1126838116.db2.gz FDUOESHWGHMAQS-UHFFFAOYSA-N -1 3 290.750 3.577 20 30 CHEDHM N#CC=C([O-])c1ccccc1OC1CCC(F)(F)CC1 ZINC001233522082 1127977262 /nfs/dbraw/zinc/97/72/62/1127977262.db2.gz AQCAGHZLJNSDEF-UHFFFAOYSA-N -1 3 279.286 3.740 20 30 CHEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1F ZINC001234139686 1128098555 /nfs/dbraw/zinc/09/85/55/1128098555.db2.gz JQPBOBUSXFPGML-SNVBAGLBSA-N -1 3 257.264 3.543 20 30 CHEDHM N#Cc1ccc(-c2cc([O-])cc(Cl)c2)nc1C(F)(F)F ZINC001235901862 1128386157 /nfs/dbraw/zinc/38/61/57/1128386157.db2.gz YRHHTFPJJZBZDS-UHFFFAOYSA-N -1 3 298.651 3.998 20 30 CHEDHM CC(=NNc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000916581135 1128427652 /nfs/dbraw/zinc/42/76/52/1128427652.db2.gz LZYMSRPFAYUCPP-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccco1)c1ccc2ccccc2n1 ZINC000916849565 1128457202 /nfs/dbraw/zinc/45/72/02/1128457202.db2.gz UVCRACQWEURSPP-WWRUEGTHSA-N -1 3 288.306 3.717 20 30 CHEDHM N#C[C@H]1CC=C(Nc2nc3c(cccc3[O-])s2)CC1 ZINC001212854699 1128599955 /nfs/dbraw/zinc/59/99/55/1128599955.db2.gz KEYCBCCFGKBSNZ-VIFPVBQESA-N -1 3 271.345 3.621 20 30 CHEDHM CC(C)CC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372489 1128675784 /nfs/dbraw/zinc/67/57/84/1128675784.db2.gz FBUMNSXRBOKZRX-UHFFFAOYSA-N -1 3 267.344 3.616 20 30 CHEDHM N#CC1(c2ccc(Nc3c(F)cc([O-])cc3F)cc2)CC1 ZINC001212260174 1128716913 /nfs/dbraw/zinc/71/69/13/1128716913.db2.gz OONHYJYRKAVFPN-UHFFFAOYSA-N -1 3 286.281 3.969 20 30 CHEDHM C[C@@H]1CCC[C@@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC001649046042 1118266824 /nfs/dbraw/zinc/26/68/24/1118266824.db2.gz JFYHVHMSZGDALQ-VXGBXAGGSA-N -1 3 281.783 3.884 20 30 CHEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccco1 ZINC001649046065 1118266890 /nfs/dbraw/zinc/26/68/90/1118266890.db2.gz KAFMIBDFFOAGBP-NSHDSACASA-N -1 3 293.750 3.845 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1cccc(C)c1 ZINC001649056687 1118283084 /nfs/dbraw/zinc/28/30/84/1118283084.db2.gz GLPIAZRYPSXAFV-AWEZNQCLSA-N -1 3 263.381 3.897 20 30 CHEDHM CCCCCCN([O-])C(=O)C1(c2ccccc2)CC1 ZINC001649057203 1118284642 /nfs/dbraw/zinc/28/46/42/1118284642.db2.gz SRTSEWIMCTYKRG-UHFFFAOYSA-N -1 3 261.365 3.516 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](c1ccccc1)[C@@H](C)CC ZINC001649061108 1118293393 /nfs/dbraw/zinc/29/33/93/1118293393.db2.gz HHMFCWWJPMMPNK-DZGCQCFKSA-N -1 3 263.381 3.834 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(Cl)nc1 ZINC000077552092 1118529940 /nfs/dbraw/zinc/52/99/40/1118529940.db2.gz QBZPGOQJSKQXAH-LZYBPNLTSA-N -1 3 281.142 3.713 20 30 CHEDHM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1ccccn1 ZINC000041493526 1118946455 /nfs/dbraw/zinc/94/64/55/1118946455.db2.gz LQUNWIRVKFNCAE-CYBMUJFWSA-N -1 3 296.395 3.902 20 30 CHEDHM N#Cc1c2c(sc1Nc1cc(F)cc(F)c1[O-])CCC2 ZINC001212477711 1120354096 /nfs/dbraw/zinc/35/40/96/1120354096.db2.gz MFENTYVOZLNKPG-UHFFFAOYSA-N -1 3 292.310 3.836 20 30 CHEDHM N#Cc1c(Cl)cccc1Nc1cc(F)cc(F)c1[O-] ZINC001212489039 1120377476 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ZINC001175270520 1121271441 /nfs/dbraw/zinc/27/14/41/1121271441.db2.gz CYHVIKLODDDJRB-UHFFFAOYSA-N -1 3 274.270 3.903 20 30 CHEDHM N#Cc1ccc(Nc2cccc([O-])c2F)cc1Cl ZINC001212549679 1121285081 /nfs/dbraw/zinc/28/50/81/1121285081.db2.gz ZKIQAEJQWCYEQV-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CCCc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001175718110 1121436871 /nfs/dbraw/zinc/43/68/71/1121436871.db2.gz GAWCCWGJBWGOHW-UHFFFAOYSA-N -1 3 252.317 3.960 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3scnc3c2)c1 ZINC001175917020 1121498833 /nfs/dbraw/zinc/49/88/33/1121498833.db2.gz VRBCHIHJMCTGNC-UHFFFAOYSA-N -1 3 267.313 3.617 20 30 CHEDHM COc1cccc(C#N)c1Nc1cc([O-])cc(Cl)c1 ZINC001176624477 1121663280 /nfs/dbraw/zinc/66/32/80/1121663280.db2.gz INMJYOJIHSSNDQ-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM Cc1cccc(C#N)c1Nc1cc([O-])cc(Cl)c1 ZINC001176624264 1121663388 /nfs/dbraw/zinc/66/33/88/1121663388.db2.gz CDYHBGJCSPOJRM-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM C#CCOc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000730950230 1121839350 /nfs/dbraw/zinc/83/93/50/1121839350.db2.gz BBQOVUVMZNDKRY-UHFFFAOYSA-N -1 3 285.730 3.808 20 30 CHEDHM CCCCN([O-])C(=O)c1occc1-c1ccccc1 ZINC001184314665 1122266596 /nfs/dbraw/zinc/26/65/96/1122266596.db2.gz FSAYJIPRPYLNBG-UHFFFAOYSA-N -1 3 259.305 3.578 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001184305987 1122267016 /nfs/dbraw/zinc/26/70/16/1122267016.db2.gz ZHXQPLULSFESMA-SJLPKXTDSA-N -1 3 287.403 3.689 20 30 CHEDHM CCCCN([O-])C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC001184314654 1122267443 /nfs/dbraw/zinc/26/74/43/1122267443.db2.gz FBMABZLDBLEKHW-LBPRGKRZSA-N -1 3 289.297 3.741 20 30 CHEDHM CC1(C)CCC(CC(=O)Nc2ccc([O-])c(C#N)c2)CC1 ZINC001185974622 1122369895 /nfs/dbraw/zinc/36/98/95/1122369895.db2.gz DBPIGYQOXDKRCQ-UHFFFAOYSA-N -1 3 286.375 3.809 20 30 CHEDHM CCCCCCCOC(=O)[N-]C1=NCC(=O)C=C1C ZINC001193986004 1122735510 /nfs/dbraw/zinc/73/55/10/1122735510.db2.gz WTGZEMYFDGGMOW-UHFFFAOYSA-N -1 3 266.341 3.615 20 30 CHEDHM N#Cc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])cc1 ZINC001250587285 1122788349 /nfs/dbraw/zinc/78/83/49/1122788349.db2.gz IKYPBZHJADZWCL-UHFFFAOYSA-N -1 3 279.217 3.829 20 30 CHEDHM CO[C@@H]1[C@H](C)[C@H](/N=C\c2cc(Cl)ccc2[O-])C1(C)C ZINC000775629424 1122827718 /nfs/dbraw/zinc/82/77/18/1122827718.db2.gz HOTUNEGUBUWLHI-JCZRPPOCSA-N -1 3 281.783 3.524 20 30 CHEDHM N#Cc1sccc1[N-]C(=O)c1nccc(Cl)c1Cl ZINC001195446638 1122868510 /nfs/dbraw/zinc/86/85/10/1122868510.db2.gz COBHVAFUKDFKSQ-UHFFFAOYSA-N -1 3 298.154 3.574 20 30 CHEDHM CCc1ccc(NC(=O)c2ccc(C#N)c(CC)c2)c([O-])c1 ZINC001197293079 1122953044 /nfs/dbraw/zinc/95/30/44/1122953044.db2.gz TXDUQJUMXALYRC-UHFFFAOYSA-N -1 3 294.354 3.641 20 30 CHEDHM Cc1cc(C)cc(NC(=S)Nc2ccc([O-])c(C#N)c2)c1 ZINC001201205507 1123079129 /nfs/dbraw/zinc/07/91/29/1123079129.db2.gz XLRKKRSKRBGSMR-UHFFFAOYSA-N -1 3 297.383 3.690 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(C#N)cc1 ZINC000007333207 1123248957 /nfs/dbraw/zinc/24/89/57/1123248957.db2.gz FZMIFUNJXKRTKM-SEEODLKFSA-N -1 3 293.297 3.786 20 30 CHEDHM CCSC1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000852999216 1123417720 /nfs/dbraw/zinc/41/77/20/1123417720.db2.gz YMKNQGGWIXXMPO-NVNXTCNLSA-N -1 3 269.797 3.750 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CC[C@H]1CC1(F)F ZINC000856719977 1123566113 /nfs/dbraw/zinc/56/61/13/1123566113.db2.gz XXJJLFLQLAYNKA-UVSFYCKTSA-N -1 3 259.683 3.510 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC=C3)n1 ZINC000336334523 1123761979 /nfs/dbraw/zinc/76/19/79/1123761979.db2.gz NKVSYFFWNRWLHZ-OAHLLOKOSA-N -1 3 294.379 3.901 20 30 CHEDHM CC[C@](C)(CN=Nc1nc2ccccc2[n-]c1=S)OC ZINC000863125173 1123846195 /nfs/dbraw/zinc/84/61/95/1123846195.db2.gz OPPLIRPBSUWTIL-CQSZACIVSA-N -1 3 290.392 3.505 20 30 CHEDHM Cc1cc(OC(C)C)ncc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001238829551 1131250546 /nfs/dbraw/zinc/25/05/46/1131250546.db2.gz TVAWBRKCPXPKLV-JZJYNLBNSA-N -1 3 296.370 3.969 20 30 CHEDHM [O-]/N=C1/CCc2cc(-c3ccc(C4CC4)nc3)ccc21 ZINC001238856679 1131258726 /nfs/dbraw/zinc/25/87/26/1131258726.db2.gz SVIQKMBXSQXDBO-ZPHPHTNESA-N -1 3 264.328 3.751 20 30 CHEDHM C=C(C)C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)C(=C)C ZINC001228856205 1125311660 /nfs/dbraw/zinc/31/16/60/1125311660.db2.gz ZHNZOOPKEUWUDU-MRXNPFEDSA-N -1 3 272.344 3.811 20 30 CHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccc[nH]1 ZINC000760228721 1125311679 /nfs/dbraw/zinc/31/16/79/1125311679.db2.gz IGJRQWYAXWNUOR-HUUTXYLISA-N -1 3 293.164 3.663 20 30 CHEDHM C[C@@H](CCc1cccn1C)/N=C/c1cc(Cl)ccc1[O-] ZINC000741845868 1129456124 /nfs/dbraw/zinc/45/61/24/1129456124.db2.gz YLZQYVDGZOUZOB-HWQJWEFDSA-N -1 3 290.794 3.824 20 30 CHEDHM CS[C@@H]1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000743042220 1129511579 /nfs/dbraw/zinc/51/15/79/1129511579.db2.gz IAVPTAOXFWYHAF-WWISCJFESA-N -1 3 269.797 3.749 20 30 CHEDHM CCC1(C/N=C/c2cc(Cl)ccc2[O-])CCOCC1 ZINC000745976474 1129621310 /nfs/dbraw/zinc/62/13/10/1129621310.db2.gz IOPQJYLKHZZAEF-LICLKQGHSA-N -1 3 281.783 3.671 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(C#N)c(C)c2)ccc1[O-] ZINC000766489800 1129669572 /nfs/dbraw/zinc/66/95/72/1129669572.db2.gz GOBXMQSWVACJOF-DAXSKMNVSA-N -1 3 277.323 3.777 20 30 CHEDHM O=C(CC[C@H]1CCCO1)N([O-])Cc1cccc2ccccc21 ZINC000900092103 1129862994 /nfs/dbraw/zinc/86/29/94/1129862994.db2.gz YESKGVLBNKHWIC-MRXNPFEDSA-N -1 3 299.370 3.517 20 30 CHEDHM Cc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1Cl ZINC000901371906 1129917501 /nfs/dbraw/zinc/91/75/01/1129917501.db2.gz KLSBRASPLQBQDE-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM O=C([C@@H]1CCCC2(CC2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901373154 1129918015 /nfs/dbraw/zinc/91/80/15/1129918015.db2.gz SWFBXBSSMMMJOI-CYBMUJFWSA-N -1 3 277.339 3.514 20 30 CHEDHM O=C(c1coc2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000901374114 1129918299 /nfs/dbraw/zinc/91/82/99/1129918299.db2.gz DOEZJUMYLJYAHZ-UHFFFAOYSA-N -1 3 285.274 3.604 20 30 CHEDHM O=C(c1ccoc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379634 1129918897 /nfs/dbraw/zinc/91/88/97/1129918897.db2.gz AHDVMGSDTXXIAI-UHFFFAOYSA-N -1 3 286.114 3.618 20 30 CHEDHM CC(C)[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000771521672 1129983857 /nfs/dbraw/zinc/98/38/57/1129983857.db2.gz VCYPXEUNJCMPJW-CFNHKTIUSA-N -1 3 281.783 3.668 20 30 CHEDHM Cc1cnc(-c2cc([O-])cc(C(F)(F)F)c2)c(C#N)c1 ZINC001242780366 1130039181 /nfs/dbraw/zinc/03/91/81/1130039181.db2.gz PHMLJFDAIUDUCB-UHFFFAOYSA-N -1 3 278.233 3.653 20 30 CHEDHM COc1cccc(OC)c1-c1ccc(/C(C)=N/[O-])cc1 ZINC001239674046 1130046947 /nfs/dbraw/zinc/04/69/47/1130046947.db2.gz CWTJUIHFNGYFLX-GZTJUZNOSA-N -1 3 271.316 3.569 20 30 CHEDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1cccc(C#N)c1 ZINC000786032843 1130075458 /nfs/dbraw/zinc/07/54/58/1130075458.db2.gz WVAVLFJCHKZDHD-SNVBAGLBSA-N -1 3 280.283 3.551 20 30 CHEDHM COc1ccc(-c2ccc(/C(C)=N/[O-])cc2)c(F)c1 ZINC001240025178 1130197324 /nfs/dbraw/zinc/19/73/24/1130197324.db2.gz WGTLQVTYNJCYRE-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM C=C(Cl)CN[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646880 1130197714 /nfs/dbraw/zinc/19/77/14/1130197714.db2.gz TUJOWGBNAVVBKM-QMMMGPOBSA-N -1 3 279.689 3.814 20 30 CHEDHM CC(=[NH+][N-]c1ccccc1)c1ccc(N2CCCC2)cc1[O-] ZINC000748247246 1130224342 /nfs/dbraw/zinc/22/43/42/1130224342.db2.gz SEFOOARKXLWPCO-UHFFFAOYSA-N -1 3 295.386 3.829 20 30 CHEDHM [O-]/N=C/c1cccc(-c2ccc(C(F)(F)F)nc2)c1 ZINC001240269134 1130253262 /nfs/dbraw/zinc/25/32/62/1130253262.db2.gz WSHXQSXEZZUOLA-CNHKJKLMSA-N -1 3 266.222 3.576 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC001240564082 1130361422 /nfs/dbraw/zinc/36/14/22/1130361422.db2.gz WZCHXCATALSYHN-VXLYETTFSA-N -1 3 281.290 3.691 20 30 CHEDHM [O-]N=Cc1ccccc1-c1ccc(N2CCCCC2)nc1 ZINC001240586692 1130373023 /nfs/dbraw/zinc/37/30/23/1130373023.db2.gz WRQBSPLMUSONBP-UHFFFAOYSA-N -1 3 281.359 3.547 20 30 CHEDHM CC(=NOCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000758145202 1130600788 /nfs/dbraw/zinc/60/07/88/1130600788.db2.gz VLGSECGNXLFOIH-UHFFFAOYSA-N -1 3 277.270 3.611 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@@H]2CCCc3ccccc32)c1 ZINC001234142029 1130611513 /nfs/dbraw/zinc/61/15/13/1130611513.db2.gz SFTVSBUFEPQCCF-QGZVFWFLSA-N -1 3 265.312 3.720 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@H]2CCc3c2cc(F)cc3F)c1 ZINC001234144435 1130612153 /nfs/dbraw/zinc/61/21/53/1130612153.db2.gz OEFPLBPLBLOHLS-INIZCTEOSA-N -1 3 287.265 3.608 20 30 CHEDHM C=CC[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234145005 1130612451 /nfs/dbraw/zinc/61/24/51/1130612451.db2.gz ZKCPQGCUUOBELA-QGZVFWFLSA-N -1 3 265.312 3.960 20 30 CHEDHM C=C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234144510 1130612495 /nfs/dbraw/zinc/61/24/95/1130612495.db2.gz PIIGFARBSJVZAT-INIZCTEOSA-N -1 3 251.285 3.570 20 30 CHEDHM C#C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1ccccc1 ZINC001234266197 1130626347 /nfs/dbraw/zinc/62/63/47/1130626347.db2.gz ZVBNJTAREXNIHN-CYBMUJFWSA-N -1 3 276.694 3.938 20 30 CHEDHM N#CC(=C([O-])C=C1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813218475 1130747980 /nfs/dbraw/zinc/74/79/80/1130747980.db2.gz PMIBPJYUCDCDJB-GFCCVEGCSA-N -1 3 294.276 3.777 20 30 CHEDHM N#Cc1ccc(NN=Cc2ccc([O-])c(F)c2)cc1Cl ZINC000783876640 1130860932 /nfs/dbraw/zinc/86/09/32/1130860932.db2.gz CQEYNININJAEIR-UHFFFAOYSA-N -1 3 289.697 3.502 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(C(F)(F)F)cc1 ZINC000814836204 1130921455 /nfs/dbraw/zinc/92/14/55/1130921455.db2.gz LBPPHPGFRVGMTA-UHFFFAOYSA-N -1 3 293.235 3.533 20 30 CHEDHM C=CC[C@H](NCc1cccc([O-])c1Cl)c1ccncc1 ZINC000815124497 1130959854 /nfs/dbraw/zinc/95/98/54/1130959854.db2.gz AYWQVEUJFATBHW-AWEZNQCLSA-N -1 3 288.778 3.848 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC)c1cc(F)ccc1F ZINC000815678322 1131018679 /nfs/dbraw/zinc/01/86/79/1131018679.db2.gz ZEQCNLBXVBYBAQ-LBPRGKRZSA-N -1 3 289.272 3.744 20 30 CHEDHM CCc1cccc(C)c1NN=Cc1c(F)ccc([O-])c1F ZINC000799493785 1131090697 /nfs/dbraw/zinc/09/06/97/1131090697.db2.gz PMMKQWYMRZIXSK-UHFFFAOYSA-N -1 3 290.313 3.987 20 30 CHEDHM CC(=NNc1cccc(C#N)c1)c1c(C)cc(C)cc1[O-] ZINC000799874467 1131110586 /nfs/dbraw/zinc/11/05/86/1131110586.db2.gz LXKJSOKPRHTENH-UHFFFAOYSA-N -1 3 279.343 3.717 20 30 CHEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1F ZINC001116377902 1131141811 /nfs/dbraw/zinc/14/18/11/1131141811.db2.gz SAFIXCPRAPXVEX-DAXSKMNVSA-N -1 3 286.302 3.744 20 30 CHEDHM CCc1cc(-c2cccc(/C=N/[O-])c2)ccc1OC ZINC001245792489 1131178713 /nfs/dbraw/zinc/17/87/13/1131178713.db2.gz VKDJSFITDFTVIM-GZTJUZNOSA-N -1 3 255.317 3.733 20 30 CHEDHM C=C(Cc1ccccc1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001144395061 1131625238 /nfs/dbraw/zinc/62/52/38/1131625238.db2.gz IGTMGDGOKMFHFN-UHFFFAOYSA-N -1 3 287.746 3.783 20 30 CHEDHM C=CCN(Cc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001144561821 1131659786 /nfs/dbraw/zinc/65/97/86/1131659786.db2.gz NTXZIZJTGYULLS-UHFFFAOYSA-N -1 3 281.346 3.991 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCC2(CCCC2)O1 ZINC000846755968 1131723529 /nfs/dbraw/zinc/72/35/29/1131723529.db2.gz GGGQOQISSYDWND-XKYMITNMSA-N -1 3 293.794 3.956 20 30 CHEDHM C=CCC[C@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743554 1131732893 /nfs/dbraw/zinc/73/28/93/1131732893.db2.gz TXXDYCDCQNRLKW-NSHDSACASA-N -1 3 275.308 3.595 20 30 CHEDHM C=CCC[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743554 1131732898 /nfs/dbraw/zinc/73/28/98/1131732898.db2.gz TXXDYCDCQNRLKW-NSHDSACASA-N -1 3 275.308 3.595 20 30 CHEDHM N#Cc1cc(-c2ccc([C@H](O)C3CCC3)cc2)ccc1[O-] ZINC000846782280 1131733658 /nfs/dbraw/zinc/73/36/58/1131733658.db2.gz PMMQPWJMCMHQQO-GOSISDBHSA-N -1 3 279.339 3.764 20 30 CHEDHM CC[C@@H](C#Cc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227982602 1131782652 /nfs/dbraw/zinc/78/26/52/1131782652.db2.gz DYAVQEVZRPWZLG-AWEZNQCLSA-N -1 3 287.746 3.650 20 30 CHEDHM CC#C[C@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228136153 1131815505 /nfs/dbraw/zinc/81/55/05/1131815505.db2.gz KTYQJLGFRWRRLE-ZDUSSCGKSA-N -1 3 274.360 3.728 20 30 CHEDHM C=C[C@H](CCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621517 1131923142 /nfs/dbraw/zinc/92/31/42/1131923142.db2.gz BIIOMJVHSCQYGL-LLVKDONJSA-N -1 3 274.316 3.541 20 30 CHEDHM C#C[C@H](CC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958301 1131985799 /nfs/dbraw/zinc/98/57/99/1131985799.db2.gz LDFRIMYXJAWHCB-GFCCVEGCSA-N -1 3 260.333 3.509 20 30 CHEDHM C=CC[C@H](C=C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229352656 1132056816 /nfs/dbraw/zinc/05/68/16/1132056816.db2.gz JGFDRBHJAYYLOR-VIFPVBQESA-N -1 3 278.402 3.798 20 30 CHEDHM CC(C)OCCOc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932786 1132132353 /nfs/dbraw/zinc/13/23/53/1132132353.db2.gz HWMUTQJHAUBLQX-CPNJWEJPSA-N -1 3 299.370 3.947 20 30 CHEDHM CO[C@H](C)CCOc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932739 1132133106 /nfs/dbraw/zinc/13/31/06/1132133106.db2.gz HEFUHVDZSYOJJH-NFECSFHCSA-N -1 3 299.370 3.947 20 30 CHEDHM [O-]c1ccccc1/N=C/c1ccccc1O[C@H]1CCCOC1 ZINC001229933327 1132134541 /nfs/dbraw/zinc/13/45/41/1132134541.db2.gz PFTOMMULRWYHQL-UZUMKDMXSA-N -1 3 297.354 3.701 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@H]1CC2CCC1CC2 ZINC001233526123 1132632791 /nfs/dbraw/zinc/63/27/91/1132632791.db2.gz ZMHSBGZUHSVDTF-FVKWTLKZSA-N -1 3 269.344 3.740 20 30 CHEDHM CCC[C@H](Oc1ccc(/C=N/[O-])cc1OC)C(C)C ZINC001233803837 1132681310 /nfs/dbraw/zinc/68/13/10/1132681310.db2.gz SHKTYYOVDXXKRR-RKPNYOAGSA-N -1 3 265.353 3.707 20 30 CHEDHM N#C[C@H](Nc1[n-]c(=O)c(Cl)cc1Cl)c1ccccc1 ZINC001161711956 1133017123 /nfs/dbraw/zinc/01/71/23/1133017123.db2.gz UXOAEMQLLIWGBA-NSHDSACASA-N -1 3 294.141 3.771 20 30 CHEDHM O=C(N([O-])Cc1ccccc1Cl)C12CCC(CC1)C2 ZINC001161807177 1133030384 /nfs/dbraw/zinc/03/03/84/1133030384.db2.gz DTZVMDBDBUXOJG-UHFFFAOYSA-N -1 3 279.767 3.638 20 30 CHEDHM CCCCCCN([O-])C(=O)c1sccc1SC ZINC001161827002 1133032378 /nfs/dbraw/zinc/03/23/78/1133032378.db2.gz SEHZVDVVMHFAFT-UHFFFAOYSA-N -1 3 273.423 3.882 20 30 CHEDHM Cc1cc(C#N)ccc1Nc1cc(F)c(F)cc1[O-] ZINC001210376250 1134202817 /nfs/dbraw/zinc/20/28/17/1134202817.db2.gz NWMGUZFZVSAGMG-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM [O-]N=Cc1ccccc1-c1cccc(OCC2CC2)c1 ZINC001210380894 1134204651 /nfs/dbraw/zinc/20/46/51/1134204651.db2.gz YOSWLYNHAMXMCW-UHFFFAOYSA-N -1 3 267.328 3.951 20 30 CHEDHM N#Cc1cc(F)c([N-]c2nccs2)c(Cl)c1 ZINC001210996490 1134346426 /nfs/dbraw/zinc/34/64/26/1134346426.db2.gz CHPDSYWTKBGXFZ-UHFFFAOYSA-N -1 3 253.689 3.551 20 30 CHEDHM N#CC1(c2cccc(Nc3ncc(Cl)cc3[O-])c2)CC1 ZINC001213313725 1134440656 /nfs/dbraw/zinc/44/06/56/1134440656.db2.gz CEKHICIYLDYUIA-UHFFFAOYSA-N -1 3 285.734 3.739 20 30 CHEDHM N#CC1(c2cccc([N-]c3nnc(-c4ccco4)o3)c2)CC1 ZINC001213313683 1134440793 /nfs/dbraw/zinc/44/07/93/1134440793.db2.gz BJAMWAHTUQIPJG-UHFFFAOYSA-N -1 3 292.298 3.628 20 30 CHEDHM N#CCc1ccccc1Nc1c(Cl)ccc([O-])c1F ZINC001214563818 1134552040 /nfs/dbraw/zinc/55/20/40/1134552040.db2.gz UTIDSZKWDTYZMU-UHFFFAOYSA-N -1 3 276.698 3.994 20 30 CHEDHM COc1ccc(Nc2cnc3cccc([O-])c3c2)cc1C#N ZINC001214996856 1134592030 /nfs/dbraw/zinc/59/20/30/1134592030.db2.gz LYFJQUXXYYOFKC-UHFFFAOYSA-N -1 3 291.310 3.564 20 30 CHEDHM Cc1cc(Nc2cc(F)c(C#N)c(F)c2)cc([O-])c1F ZINC001216082899 1134771312 /nfs/dbraw/zinc/77/13/12/1134771312.db2.gz FSAWGBWRYQXZPL-UHFFFAOYSA-N -1 3 278.233 3.733 20 30 CHEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1ccccc1Cl ZINC001223977023 1135404682 /nfs/dbraw/zinc/40/46/82/1135404682.db2.gz DRQCHJOCEWOOSS-BXWLNTHASA-N -1 3 276.723 3.649 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225343444 1135547724 /nfs/dbraw/zinc/54/77/24/1135547724.db2.gz WQBRJFWJOGBVIW-SUMWQHHRSA-N -1 3 284.355 3.942 20 30 CHEDHM CCOc1ccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cc1 ZINC001225468620 1135571447 /nfs/dbraw/zinc/57/14/47/1135571447.db2.gz BQGOLDBIUXYCMT-GFCCVEGCSA-N -1 3 298.342 3.506 20 30 CHEDHM Cc1cccc2c1[C@H](Oc1cccc(/C=N/[O-])c1)CC2 ZINC001226110203 1135663478 /nfs/dbraw/zinc/66/34/78/1135663478.db2.gz ONDOHKBBNYKDPI-YCPFAOKUSA-N -1 3 267.328 3.869 20 30 CHEDHM C=CCC(CC=C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226117237 1135665429 /nfs/dbraw/zinc/66/54/29/1135665429.db2.gz JUWCGXZRIORFDG-UHFFFAOYSA-N -1 3 262.378 3.542 20 30 CHEDHM C=C(C)C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C(=C)C ZINC001226598724 1135718190 /nfs/dbraw/zinc/71/81/90/1135718190.db2.gz GGMLLXMTSOHTPR-AWEZNQCLSA-N -1 3 286.327 3.788 20 30 CHEDHM C=CC[C@@H](Oc1cc(C)nc(=S)[n-]1)c1ccccc1 ZINC001226797488 1135742697 /nfs/dbraw/zinc/74/26/97/1135742697.db2.gz BYXOQGGPLHKPRK-CYBMUJFWSA-N -1 3 272.373 3.770 20 30 CHEDHM C=CC[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227349843 1135825333 /nfs/dbraw/zinc/82/53/33/1135825333.db2.gz KNHKNCALGVLLSX-MRXNPFEDSA-N -1 3 265.312 3.960 20 30 CHEDHM C=CCSc1nnc([N-]c2ccccc2F)s1 ZINC000006595478 170218015 /nfs/dbraw/zinc/21/80/15/170218015.db2.gz ZPPCLSUBXDXDRF-UHFFFAOYSA-N -1 3 267.354 3.699 20 30 CHEDHM O=C(NCc1ncccc1[O-])[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329099350 227295826 /nfs/dbraw/zinc/29/58/26/227295826.db2.gz MGKNBCIKIHUUAB-MELADBBJSA-N -1 3 288.391 3.850 20 30 CHEDHM N#Cc1cccc(NCc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000352837032 227313518 /nfs/dbraw/zinc/31/35/18/227313518.db2.gz LEBNCUNGDIHTPQ-UHFFFAOYSA-N -1 3 292.260 3.895 20 30 CHEDHM N#CCCC[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000352219796 228200805 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ZINC000904188710 1126837635 /nfs/dbraw/zinc/83/76/35/1126837635.db2.gz KQERWUAYNVDZBA-LBPRGKRZSA-N -1 3 292.766 3.511 20 30 CHEDHM C=CCSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000486978725 1127013737 /nfs/dbraw/zinc/01/37/37/1127013737.db2.gz CPZSALKXJDBBCD-AWEZNQCLSA-N -1 3 294.379 3.850 20 30 CHEDHM CN(C)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000005261794 1127394935 /nfs/dbraw/zinc/39/49/35/1127394935.db2.gz TXKBSMMDIRSMTM-WOJGMQOQSA-N -1 3 288.778 3.731 20 30 CHEDHM CCSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000642280780 1128187329 /nfs/dbraw/zinc/18/73/29/1128187329.db2.gz OZQGFKIHUKVZAC-ZDUSSCGKSA-N -1 3 282.368 3.684 20 30 CHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000035326131 1128284399 /nfs/dbraw/zinc/28/43/99/1128284399.db2.gz YFQLWKPNMHKJHJ-WEVVVXLNSA-N -1 3 268.312 3.605 20 30 CHEDHM CC1(C)C[C@@H](/N=C\c2cc(Cl)ccc2[O-])C(C)(C)O1 ZINC000777874040 1128299487 /nfs/dbraw/zinc/29/94/87/1128299487.db2.gz YGOVZVRBGUZDIM-ZLYHGVDXSA-N -1 3 281.783 3.811 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCC(F)(F)C1 ZINC000763095076 1128350570 /nfs/dbraw/zinc/35/05/70/1128350570.db2.gz ACFHRYBHOCAVBJ-NPVNMOQSSA-N -1 3 259.683 3.652 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1c(F)cccc1F ZINC000917556426 1128507050 /nfs/dbraw/zinc/50/70/50/1128507050.db2.gz ACNMZESXTWPUMP-OCKHKDLRSA-N -1 3 295.716 3.985 20 30 CHEDHM O=C(c1ccc(F)c(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376834 1128677251 /nfs/dbraw/zinc/67/72/51/1128677251.db2.gz ZVIDCZZIHYZFCA-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM O=[N+]([O-])c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000920943499 1128695484 /nfs/dbraw/zinc/69/54/84/1128695484.db2.gz LWSQMHHRODSMHA-UHFFFAOYSA-N -1 3 276.679 3.704 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000728232921 1118063119 /nfs/dbraw/zinc/06/31/19/1118063119.db2.gz YBZWIASWSDQJJC-XBXARRHUSA-N -1 3 283.283 3.505 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001649056451 1118283203 /nfs/dbraw/zinc/28/32/03/1118283203.db2.gz AFOIKOOGDUPEDG-NSHDSACASA-N 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NESDHCBHTFOACY-DZBQEORWSA-N -1 3 293.794 3.956 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOCc1ccccc1 ZINC000176322277 1118917221 /nfs/dbraw/zinc/91/72/21/1118917221.db2.gz IJVUPBJFZMNJMM-WOJGMQOQSA-N -1 3 289.762 3.681 20 30 CHEDHM Cc1oc([N-]c2cnc(Br)s2)c(C#N)c1C ZINC001216263374 1118930949 /nfs/dbraw/zinc/93/09/49/1118930949.db2.gz AHDWVABDXVHJCM-UHFFFAOYSA-N -1 3 298.165 3.731 20 30 CHEDHM CC(=NNCc1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC000728430003 1118932729 /nfs/dbraw/zinc/93/27/29/1118932729.db2.gz WMRFWQDGZAREOG-UHFFFAOYSA-N -1 3 292.741 3.699 20 30 CHEDHM [O-]c1ccc(C=NN(c2ccccc2)c2ccccc2)nc1 ZINC000755466058 1119429584 /nfs/dbraw/zinc/42/95/84/1119429584.db2.gz TUWCEBNBTUWOMY-UHFFFAOYSA-N -1 3 289.338 3.959 20 30 CHEDHM COc1cc(C(=O)/C=C\c2ccccc2C)c(OC)cc1[O-] ZINC000255642146 1119682500 /nfs/dbraw/zinc/68/25/00/1119682500.db2.gz ZUYFBVVPOFZEFH-HJWRWDBZSA-N -1 3 298.338 3.614 20 30 CHEDHM N#CC[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236796344 1128892154 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/nfs/dbraw/zinc/78/46/74/1121784674.db2.gz UBULRNLTIVAFAF-UHFFFAOYSA-N -1 3 272.323 3.984 20 30 CHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(Cl)o3)nc21 ZINC000345371437 1121877259 /nfs/dbraw/zinc/87/72/59/1121877259.db2.gz JXVKWMVCFYREDS-VIFPVBQESA-N -1 3 299.717 3.608 20 30 CHEDHM CCOc1cc(C=NOC2CCCC2)cc(Cl)c1[O-] ZINC000774597244 1122210723 /nfs/dbraw/zinc/21/07/23/1122210723.db2.gz RVMNHCRREGHDJG-UHFFFAOYSA-N -1 3 283.755 3.737 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC001184305788 1122266664 /nfs/dbraw/zinc/26/66/64/1122266664.db2.gz QWMWOMURISAIIY-HNNXBMFYSA-N -1 3 293.432 3.810 20 30 CHEDHM CCCCN([O-])C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001184315313 1122268141 /nfs/dbraw/zinc/26/81/41/1122268141.db2.gz XAJMKTKBFCWEFK-CQSZACIVSA-N -1 3 293.407 3.987 20 30 CHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccccc2C#N)CC)n1 ZINC000435341274 1122459857 /nfs/dbraw/zinc/45/98/57/1122459857.db2.gz VIWGHCZPYXVVDL-RAXLEYEMSA-N -1 3 293.370 3.957 20 30 CHEDHM CCCc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)s1 ZINC001189513319 1122503787 /nfs/dbraw/zinc/50/37/87/1122503787.db2.gz SDTWFNMSJUQWLV-UHFFFAOYSA-N -1 3 286.356 3.530 20 30 CHEDHM CC(C)Nc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001201497405 1123111168 /nfs/dbraw/zinc/11/11/68/1123111168.db2.gz GTPHGTYCWACKMI-UHFFFAOYSA-N -1 3 267.332 3.828 20 30 CHEDHM N#C[C@H](OC(=O)c1cc2ccsc2[n-]1)C1CCCCC1 ZINC000776362504 1123219557 /nfs/dbraw/zinc/21/95/57/1123219557.db2.gz FXBBTHHBBMVGIA-ZDUSSCGKSA-N -1 3 288.372 3.859 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2nc(Cl)cs2)ccc1[O-] ZINC000759086153 1123265354 /nfs/dbraw/zinc/26/53/54/1123265354.db2.gz ZZJUPDUREUHJLF-PLNGDYQASA-N -1 3 279.748 3.707 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCC1SCCS1 ZINC000852998517 1123417727 /nfs/dbraw/zinc/41/77/27/1123417727.db2.gz NMXPWZDLUPVEJP-RIYZIHGNSA-N -1 3 287.837 3.661 20 30 CHEDHM CSCCCCN=Nc1nc2ccccc2[n-]c1=S ZINC000863125198 1123845955 /nfs/dbraw/zinc/84/59/55/1123845955.db2.gz PJQDAWHRQABBAA-UHFFFAOYSA-N -1 3 292.433 3.833 20 30 CHEDHM N#C[C@@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125255 1123846055 /nfs/dbraw/zinc/84/60/55/1123846055.db2.gz QUEBBHMJWNOZQX-SNVBAGLBSA-N -1 3 297.387 3.774 20 30 CHEDHM CC(C)C(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128375 1123847606 /nfs/dbraw/zinc/84/76/06/1123847606.db2.gz MABJCVHQUYSTBG-UHFFFAOYSA-N -1 3 260.366 3.736 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccnc(Cl)c1 ZINC000794946071 1124095151 /nfs/dbraw/zinc/09/51/51/1124095151.db2.gz MUUVTXSJOWOSLU-HNQUOIGGSA-N -1 3 295.672 3.615 20 30 CHEDHM N#CCOc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000127282004 1125173850 /nfs/dbraw/zinc/17/38/50/1125173850.db2.gz CYPDEMCKFAQKRQ-UHFFFAOYSA-N -1 3 288.734 3.560 20 30 CHEDHM N#Cc1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000127320017 1125176539 /nfs/dbraw/zinc/17/65/39/1125176539.db2.gz VZLZJKBISJAFQX-UHFFFAOYSA-N -1 3 276.698 3.668 20 30 CHEDHM COc1ccc(Nc2ccc([O-])c(Cl)c2)c(C#N)c1 ZINC001212783304 1125196251 /nfs/dbraw/zinc/19/62/51/1125196251.db2.gz BZORVRWDIJVXQE-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM Cc1cccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000128462297 1125276889 /nfs/dbraw/zinc/27/68/89/1125276889.db2.gz YLTNUESTKJUHMG-ZJTXRKTBSA-N -1 3 289.762 3.507 20 30 CHEDHM CCSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000642280779 1129412269 /nfs/dbraw/zinc/41/22/69/1129412269.db2.gz OZQGFKIHUKVZAC-CYBMUJFWSA-N -1 3 282.368 3.684 20 30 CHEDHM CS[C@@H]1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000743042216 1129511438 /nfs/dbraw/zinc/51/14/38/1129511438.db2.gz IAVPTAOXFWYHAF-GTZAAGPCSA-N -1 3 269.797 3.749 20 30 CHEDHM C#CCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746079048 1129624173 /nfs/dbraw/zinc/62/41/73/1129624173.db2.gz LBKQJLUIDRLBFL-UHFFFAOYSA-N -1 3 286.714 3.503 20 30 CHEDHM CC1(C)CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372286 1129917273 /nfs/dbraw/zinc/91/72/73/1129917273.db2.gz WBUUXCPBLGOZAD-CYBMUJFWSA-N -1 3 279.355 3.760 20 30 CHEDHM CC[C@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371256 1129917819 /nfs/dbraw/zinc/91/78/19/1129917819.db2.gz SUDLHIGRZIPXMR-ZDUSSCGKSA-N -1 3 271.360 3.994 20 30 CHEDHM CCC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCC1 ZINC000901372377 1129918255 /nfs/dbraw/zinc/91/82/55/1129918255.db2.gz XEGMTYQJZBUKBN-UHFFFAOYSA-N -1 3 279.355 3.904 20 30 CHEDHM CC(=NNc1c(C)cccc1F)c1cc(F)ccc1[O-] ZINC000769839539 1129928407 /nfs/dbraw/zinc/92/84/07/1129928407.db2.gz DNRPFXUHPWRTFD-UHFFFAOYSA-N -1 3 276.286 3.815 20 30 CHEDHM C=CCC[C@@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000901692672 1129945022 /nfs/dbraw/zinc/94/50/22/1129945022.db2.gz OWHKAFMOUNBEKO-GFCCVEGCSA-N -1 3 288.174 3.502 20 30 CHEDHM Cc1cc(=O)[n-]c(CSCCCCC2(C#N)CCC2)n1 ZINC000901769645 1129951272 /nfs/dbraw/zinc/95/12/72/1129951272.db2.gz NAGOZXMUKNLRRS-UHFFFAOYSA-N -1 3 291.420 3.588 20 30 CHEDHM Cc1c2occ([O-])c2ccc1OCCCCC1(C#N)CCC1 ZINC000902776793 1130055431 /nfs/dbraw/zinc/05/54/31/1130055431.db2.gz QDEDQEIVZCRNCI-UHFFFAOYSA-N -1 3 299.370 3.813 20 30 CHEDHM C[C@@H](NCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1[O-] ZINC000903100327 1130112326 /nfs/dbraw/zinc/11/23/26/1130112326.db2.gz NVVPXRJDLALHTO-MRVPVSSYSA-N -1 3 287.190 3.899 20 30 CHEDHM C[C@H](NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903106725 1130113366 /nfs/dbraw/zinc/11/33/66/1130113366.db2.gz UORNFXABMBTXNE-QMMMGPOBSA-N -1 3 285.174 3.653 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1cc(F)cc(F)c1 ZINC000748583753 1130237018 /nfs/dbraw/zinc/23/70/18/1130237018.db2.gz FMKGAZQDNAFNFQ-DJKKODMXSA-N -1 3 295.716 3.985 20 30 CHEDHM CC(=NNc1ncccc1C)c1ccc([O-])c(Cl)c1 ZINC000790187218 1130296334 /nfs/dbraw/zinc/29/63/34/1130296334.db2.gz TWTQQCUGICVCBG-UHFFFAOYSA-N -1 3 275.739 3.585 20 30 CHEDHM N#CC1(c2ccccc2-c2ccc([O-])c(F)c2)CCOCC1 ZINC001240789764 1130472694 /nfs/dbraw/zinc/47/26/94/1130472694.db2.gz CYWKNHOEOUFURX-UHFFFAOYSA-N -1 3 297.329 3.770 20 30 CHEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234143955 1130610720 /nfs/dbraw/zinc/61/07/20/1130610720.db2.gz IBLURVXUWKZAIQ-CYBMUJFWSA-N -1 3 295.338 3.969 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@H]2CCc3ccc(Cl)cc32)c1 ZINC001234143276 1130611221 /nfs/dbraw/zinc/61/12/21/1130611221.db2.gz CMDHVLKRAPKTEC-INIZCTEOSA-N -1 3 285.730 3.984 20 30 CHEDHM C[C@H](C#C[Si](C)(C)C)Oc1c([O-])cc(Cl)cc1F ZINC001234445472 1130644512 /nfs/dbraw/zinc/64/45/12/1130644512.db2.gz ZRQMZLAVZREIRC-SECBINFHSA-N -1 3 286.806 3.833 20 30 CHEDHM CC(=NNc1cc(C)ccc1F)c1ccc([O-])c(F)c1 ZINC000759667935 1130668302 /nfs/dbraw/zinc/66/83/02/1130668302.db2.gz ZJUUSNQGRMPEBP-UHFFFAOYSA-N -1 3 276.286 3.815 20 30 CHEDHM C=CC[C@H](CCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693392 1130673743 /nfs/dbraw/zinc/67/37/43/1130673743.db2.gz WOWBBWBNRFAQPO-CQSZACIVSA-N -1 3 284.359 3.973 20 30 CHEDHM CCCCCCCCC(=O)[N-]OCc1ccccc1 ZINC000106167432 1130753131 /nfs/dbraw/zinc/75/31/31/1130753131.db2.gz PSBUDGPXJSZNDM-UHFFFAOYSA-N -1 3 263.381 3.985 20 30 CHEDHM [O-]c1ccc2ccccc2c1C=NOCCC1CC1 ZINC000814246303 1130848257 /nfs/dbraw/zinc/84/82/57/1130848257.db2.gz ZEOWSVNGUAUWOW-UHFFFAOYSA-N -1 3 255.317 3.696 20 30 CHEDHM CC(C)(C#N)CCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000783947445 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CC1(C)C[C@@H](O)c2cc(-c3ccc([O-])c(C#N)c3)ccc2O1 ZINC000846782521 1131733828 /nfs/dbraw/zinc/73/38/28/1131733828.db2.gz QRSAUPQZYKDHMC-MRXNPFEDSA-N -1 3 295.338 3.525 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ncc(Cl)cc2[O-])O1 ZINC001227981800 1131780210 /nfs/dbraw/zinc/78/02/10/1131780210.db2.gz ZPOHJOPDNISFNY-WFASDCNBSA-N -1 3 297.782 3.722 20 30 CHEDHM Cc1nc(C)c(C(=O)[N-]c2c(C#N)oc3ccccc32)s1 ZINC001147233977 1131818432 /nfs/dbraw/zinc/81/84/32/1131818432.db2.gz HASXYPUTEQNLEK-UHFFFAOYSA-N -1 3 297.339 3.630 20 30 CHEDHM CCC#C[C@@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228153954 1131819424 /nfs/dbraw/zinc/81/94/24/1131819424.db2.gz IELMDJMJJYIRPP-CQSZACIVSA-N -1 3 294.350 3.804 20 30 CHEDHM CC#C[C@@H](CC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228156240 1131821165 /nfs/dbraw/zinc/82/11/65/1131821165.db2.gz ZQGGBYVVTHSEMA-MRXNPFEDSA-N -1 3 294.350 3.804 20 30 CHEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699914 1131937541 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ZINC001231074033 1132252051 /nfs/dbraw/zinc/25/20/51/1132252051.db2.gz QCMWNOYXZWQCNQ-MRXNPFEDSA-N -1 3 292.342 3.563 20 30 CHEDHM CC1(C)C[C@@H](C/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000840711621 1132274137 /nfs/dbraw/zinc/27/41/37/1132274137.db2.gz XZCKYWPMQIWDMB-MUOOZZNISA-N -1 3 281.783 3.670 20 30 CHEDHM CCO[C@@H]1CCCC[C@H]1/N=C\c1cc(Cl)ccc1[O-] ZINC000840708733 1132274958 /nfs/dbraw/zinc/27/49/58/1132274958.db2.gz DLPILSVOUOOLBZ-ARHHVSSYSA-N -1 3 281.783 3.812 20 30 CHEDHM CC1(C#N)CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231523335 1132312043 /nfs/dbraw/zinc/31/20/43/1132312043.db2.gz UKBNIOYDYKBJLP-UHFFFAOYSA-N -1 3 298.308 3.537 20 30 CHEDHM CC1(C#N)CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418789 1132620634 /nfs/dbraw/zinc/62/06/34/1132620634.db2.gz WRUNREIXCQCLDD-UHFFFAOYSA-N -1 3 298.308 3.537 20 30 CHEDHM C#C[C@H]1CCC[C@H]1Oc1cc(Cl)c([O-])cc1C ZINC001233592897 1132643504 /nfs/dbraw/zinc/64/35/04/1132643504.db2.gz RKJQQNKQRVXCDM-GXFFZTMASA-N -1 3 250.725 3.535 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2cc(C)ccc21 ZINC001233799057 1132680334 /nfs/dbraw/zinc/68/03/34/1132680334.db2.gz DUFLZADROWXBFP-YDDPGSGASA-N -1 3 297.354 3.878 20 30 CHEDHM CCCC[C@@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799043 1132680558 /nfs/dbraw/zinc/68/05/58/1132680558.db2.gz DMTFRRZEAIICEM-KWWJGWKXSA-N -1 3 265.353 3.851 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001233804434 1132682030 /nfs/dbraw/zinc/68/20/30/1132682030.db2.gz ZQOWHUTZNGLGCX-PJIHYRLZSA-N -1 3 277.364 3.707 20 30 CHEDHM C#Cc1ccc(NC(=O)c2ccc(CC)cc2[O-])c(Cl)c1 ZINC001157893517 1132754610 /nfs/dbraw/zinc/75/46/10/1132754610.db2.gz KOCNOBDBFCRLLX-UHFFFAOYSA-N -1 3 299.757 3.842 20 30 CHEDHM N#Cc1cc(Nc2cc([O-])c(F)cc2F)ccc1Cl ZINC001174403195 1132822118 /nfs/dbraw/zinc/82/21/18/1132822118.db2.gz JQGGGYYOCQIZDU-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM C=C[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1 ZINC001160321243 1132961476 /nfs/dbraw/zinc/96/14/76/1132961476.db2.gz MBPGPMVAPRIZRA-AWEZNQCLSA-N -1 3 295.338 3.503 20 30 CHEDHM Cc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1C ZINC001161802000 1133029747 /nfs/dbraw/zinc/02/97/47/1133029747.db2.gz GGMDVPPWJCLAMX-UHFFFAOYSA-N -1 3 289.762 3.988 20 30 CHEDHM CCCCN([O-])C(=O)c1cc2c(cccc2F)s1 ZINC001161826829 1133032654 /nfs/dbraw/zinc/03/26/54/1133032654.db2.gz MPHNMALYWIFMRL-UHFFFAOYSA-N -1 3 267.325 3.672 20 30 CHEDHM CC1CCC(C)(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC001161849079 1133036369 /nfs/dbraw/zinc/03/63/69/1133036369.db2.gz NATHXWFBSHRARA-UHFFFAOYSA-N -1 3 279.355 3.760 20 30 CHEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)cc1Cl ZINC001206798111 1133749460 /nfs/dbraw/zinc/74/94/60/1133749460.db2.gz ASYLEXBDDJBOOS-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM Cc1cc(C)c(Nc2cc([O-])cc(F)c2)cc1C#N ZINC001208621206 1133921411 /nfs/dbraw/zinc/92/14/11/1133921411.db2.gz LBLFLXUDULCUKN-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM N#Cc1ccc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001209594363 1134038531 /nfs/dbraw/zinc/03/85/31/1134038531.db2.gz WWXSMXQPUPWNHX-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM N#Cc1c(F)c(Cl)ccc1Nc1ccc(F)cc1[O-] ZINC001210020773 1134124647 /nfs/dbraw/zinc/12/46/47/1134124647.db2.gz WJBYNYFLSZOAEX-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1cc(Nc2cc(Cl)c(F)cc2F)ccc1[O-] ZINC001210113398 1134151388 /nfs/dbraw/zinc/15/13/88/1134151388.db2.gz IGYZEYXADOCQLP-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC1(C)CC(=O)C=C(N=c2[nH]c3c(cccc3[O-])s2)C1 ZINC001210150032 1134157152 /nfs/dbraw/zinc/15/71/52/1134157152.db2.gz LFTNYJGJDNTHFS-UHFFFAOYSA-N -1 3 288.372 3.687 20 30 CHEDHM N#Cc1cc(Nc2ccc(Cl)cc2C#N)ccc1[O-] ZINC001210529047 1134240529 /nfs/dbraw/zinc/24/05/29/1134240529.db2.gz GTHXHUJJFNWIQE-UHFFFAOYSA-N -1 3 269.691 3.533 20 30 CHEDHM Cc1cc(Nc2cc(F)cc(F)c2[O-])ccc1C#N ZINC001210809022 1134301022 /nfs/dbraw/zinc/30/10/22/1134301022.db2.gz UVQOLSBOESMOLS-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CCOc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1 ZINC001211056265 1134359749 /nfs/dbraw/zinc/35/97/49/1134359749.db2.gz RNFWWRUZFAYZKA-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM N#Cc1cc(Nc2ccc(F)c([O-])c2)ccc1N1CCCC1 ZINC001211217898 1134394231 /nfs/dbraw/zinc/39/42/31/1134394231.db2.gz GYEQWGBYWBRYJN-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(Cl)nc2Cl)c1 ZINC001211277094 1134401245 /nfs/dbraw/zinc/40/12/45/1134401245.db2.gz BMVVUJCWSUZTJU-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM C#Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001213388737 1134445587 /nfs/dbraw/zinc/44/55/87/1134445587.db2.gz JSZRRCGFNROHIZ-UHFFFAOYSA-N -1 3 263.218 3.534 20 30 CHEDHM Cc1sc(Nc2cc(F)c([O-])cc2F)c(C#N)c1C ZINC001215571102 1134644975 /nfs/dbraw/zinc/64/49/75/1134644975.db2.gz XXGICSHLPKSWNA-UHFFFAOYSA-N -1 3 280.299 3.964 20 30 CHEDHM N#Cc1ccc(Nc2c([O-])cccc2Cl)c(C#N)c1 ZINC001215987436 1134742831 /nfs/dbraw/zinc/74/28/31/1134742831.db2.gz CXILOYFVNILQCZ-UHFFFAOYSA-N -1 3 269.691 3.533 20 30 CHEDHM Cc1cc(Nc2cc(F)c(C#N)cc2F)cc([O-])c1F ZINC001216081057 1134770725 /nfs/dbraw/zinc/77/07/25/1134770725.db2.gz UMTWJMJZDVLHAZ-UHFFFAOYSA-N -1 3 278.233 3.733 20 30 CHEDHM Cc1cc(Nc2cc(F)c(F)c(C#N)c2F)cc([O-])c1F ZINC001216083170 1134771693 /nfs/dbraw/zinc/77/16/93/1134771693.db2.gz KYFXXHWWBBREAA-UHFFFAOYSA-N -1 3 296.223 3.872 20 30 CHEDHM COc1cc(C#N)cc(Nc2cc(C)c([O-])c(Cl)c2)c1 ZINC001216086722 1134772801 /nfs/dbraw/zinc/77/28/01/1134772801.db2.gz FKKRVHDTXYCDIZ-UHFFFAOYSA-N -1 3 288.734 3.978 20 30 CHEDHM N#Cc1c(F)ccc(Nc2cc(Cl)ccc2[O-])c1F ZINC001216401693 1134883571 /nfs/dbraw/zinc/88/35/71/1134883571.db2.gz YOHPQNSEHWFNCD-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM COc1cc(C#N)cc(Nc2cc(Cl)ccc2[O-])c1 ZINC001216403094 1134884459 /nfs/dbraw/zinc/88/44/59/1134884459.db2.gz LBGVQUAENSCMCY-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1csc(Cl)c1 ZINC001223978067 1135404841 /nfs/dbraw/zinc/40/48/41/1135404841.db2.gz PDCOENFJRAMRDJ-NCCGYGPPSA-N -1 3 282.752 3.710 20 30 CHEDHM CCC[C@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225468854 1135571538 /nfs/dbraw/zinc/57/15/38/1135571538.db2.gz FDVQDRFNVDWHKH-INIZCTEOSA-N -1 3 282.343 3.888 20 30 CHEDHM C=C(C)C[C@H](Oc1[n-]c(=S)ncc1C1CC1)C(=C)C ZINC001226119194 1135664866 /nfs/dbraw/zinc/66/48/66/1135664866.db2.gz KXBZCPNKEQSJEA-ZDUSSCGKSA-N -1 3 276.405 3.932 20 30 CHEDHM C=C[C@H](CCCC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118184 1135664882 /nfs/dbraw/zinc/66/48/82/1135664882.db2.gz CFTXUTHJHGMCMA-LLVKDONJSA-N -1 3 264.394 3.766 20 30 CHEDHM C=C[C@H](CCCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599992 1135718229 /nfs/dbraw/zinc/71/82/29/1135718229.db2.gz RQDAGHKAZJTUTM-GFCCVEGCSA-N -1 3 274.316 3.622 20 30 CHEDHM N#C[C@@H](Oc1cccc([O-])c1Cl)c1ccccc1F ZINC001226710108 1135732433 /nfs/dbraw/zinc/73/24/33/1135732433.db2.gz VYWRBLIFIFLBDF-CYBMUJFWSA-N -1 3 277.682 3.828 20 30 CHEDHM C=CC[C@H](Oc1cc(C)nc(=S)[n-]1)c1ccccc1 ZINC001226797491 1135742730 /nfs/dbraw/zinc/74/27/30/1135742730.db2.gz BYXOQGGPLHKPRK-ZDUSSCGKSA-N -1 3 272.373 3.770 20 30 CHEDHM Cc1cccc2c1CC[C@@H]2Oc1cc(C#N)ccc1[O-] ZINC001227345337 1135823482 /nfs/dbraw/zinc/82/34/82/1135823482.db2.gz NBTOMGLRLBYVKT-INIZCTEOSA-N -1 3 265.312 3.639 20 30 CHEDHM Cc1ccc(NC(=O)C[C@@H](CC#N)c2ccccc2)c([O-])c1 ZINC000353520489 228113942 /nfs/dbraw/zinc/11/39/42/228113942.db2.gz WCNQQCIPADRYNM-OAHLLOKOSA-N -1 3 294.354 3.727 20 30 CHEDHM N#CC(=C([O-])c1ccc(F)c2ccccc12)c1ccccn1 ZINC000319171945 262181442 /nfs/dbraw/zinc/18/14/42/262181442.db2.gz JBKSGTZSLZQZJX-OAHLLOKOSA-N -1 3 290.297 3.864 20 30 CHEDHM C=CC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000186894751 262327722 /nfs/dbraw/zinc/32/77/22/262327722.db2.gz QSTUKNMWBYTQGU-OAHLLOKOSA-N -1 3 299.345 3.507 20 30 CHEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000189033387 264269783 /nfs/dbraw/zinc/26/97/83/264269783.db2.gz CZWGTTOKGJYWKO-ZDUSSCGKSA-N -1 3 253.729 3.586 20 30 CHEDHM CC(C)c1cc(C(=O)NC[C@H](C)C#N)c([O-])c(C(C)C)c1 ZINC000560614286 327330706 /nfs/dbraw/zinc/33/07/06/327330706.db2.gz ARPRHJIQBVFSMJ-GFCCVEGCSA-N -1 3 288.391 3.528 20 30 CHEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000525957041 329685408 /nfs/dbraw/zinc/68/54/08/329685408.db2.gz KLBVZYRXAKXFLI-CYBMUJFWSA-N -1 3 298.180 3.696 20 30 CHEDHM C=C(C)COc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271636833 330081745 /nfs/dbraw/zinc/08/17/45/330081745.db2.gz AAMRIMOWUQTARR-UHFFFAOYSA-N -1 3 290.363 3.637 20 30 CHEDHM C=C(C)COc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271636833 330081747 /nfs/dbraw/zinc/08/17/47/330081747.db2.gz AAMRIMOWUQTARR-UHFFFAOYSA-N -1 3 290.363 3.637 20 30 CHEDHM C=C(C)CCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000452728722 331074561 /nfs/dbraw/zinc/07/45/61/331074561.db2.gz DJWDETFYVUZGMF-UHFFFAOYSA-N -1 3 283.371 3.560 20 30 CHEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000468007350 331426643 /nfs/dbraw/zinc/42/66/43/331426643.db2.gz XFISKNAIYPYJJB-VIFPVBQESA-N -1 3 287.281 3.952 20 30 CHEDHM C=CCC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000490645196 332099371 /nfs/dbraw/zinc/09/93/71/332099371.db2.gz BBXCDWRANTUWBV-UHFFFAOYSA-N -1 3 253.729 3.586 20 30 CHEDHM C=CCOc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000499895849 332595282 /nfs/dbraw/zinc/59/52/82/332595282.db2.gz RUNHQPVLKXAZTC-UHFFFAOYSA-N -1 3 283.327 3.518 20 30 CHEDHM C=CCN(Cc1c2ccccc2sc1C(=O)[O-])C1CC1 ZINC000382485885 336091529 /nfs/dbraw/zinc/09/15/29/336091529.db2.gz UQZCCYHPNGRXIH-UHFFFAOYSA-N -1 3 287.384 3.750 20 30 CHEDHM Cc1noc([N-]C(=O)[C@@H]2CCc3cc(C)ccc3O2)c1C ZINC000330054012 534429451 /nfs/dbraw/zinc/42/94/51/534429451.db2.gz RHKMKQHFMVJXBX-AWEZNQCLSA-N -1 3 286.331 3.582 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000352011581 526356641 /nfs/dbraw/zinc/35/66/41/526356641.db2.gz SQTUDSQJTDNOCH-UHFFFAOYSA-N -1 3 271.335 3.720 20 30 CHEDHM CC(CCC1CCCC1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735986070 598936152 /nfs/dbraw/zinc/93/61/52/598936152.db2.gz PVOXGLMRFZFKSU-UHFFFAOYSA-N -1 3 298.394 3.625 20 30 CHEDHM CC(CCC1CCCC1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735986070 598936154 /nfs/dbraw/zinc/93/61/54/598936154.db2.gz PVOXGLMRFZFKSU-UHFFFAOYSA-N -1 3 298.394 3.625 20 30 CHEDHM C[C@@H]1CCc2sc(C([O-])=C(C#N)c3ccccn3)cc2C1 ZINC000046706057 1125468600 /nfs/dbraw/zinc/46/86/00/1125468600.db2.gz VWFCHVWVZXVWBY-YPMHNXCESA-N -1 3 296.395 3.758 20 30 CHEDHM C=CCCCN(CC)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001588801380 984245390 /nfs/dbraw/zinc/24/53/90/984245390.db2.gz KQFJRZHCRRGYMK-CQSZACIVSA-N -1 3 299.773 3.893 20 30 CHEDHM C=CC(C)(C)CC(=O)N([O-])CCCCc1ccccc1 ZINC001184293455 1122269309 /nfs/dbraw/zinc/26/93/09/1122269309.db2.gz UEMMHLSPQKSQOX-UHFFFAOYSA-N -1 3 275.392 3.829 20 30 CHEDHM N#C[C@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142115157 1132327701 /nfs/dbraw/zinc/32/77/01/1132327701.db2.gz ZJJSTXPVGKBRRV-JTQLQIEISA-N -1 3 299.201 3.825 20 30 CHEDHM CCCN(CCC#N)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418370 1132618765 /nfs/dbraw/zinc/61/87/65/1132618765.db2.gz DJYCUKIPSWHAQA-UHFFFAOYSA-N -1 3 286.297 3.537 20 30 CHEDHM CSc1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001215906988 1134716010 /nfs/dbraw/zinc/71/60/10/1134716010.db2.gz WZGIADCPXZAKHZ-UHFFFAOYSA-N -1 3 274.320 3.868 20 30 CHEDHM CC(C)(C)n1cc(C#N)cc1Nc1ccc([O-])c(F)c1F ZINC001212000202 1125632506 /nfs/dbraw/zinc/63/25/06/1125632506.db2.gz SEDJRLCDYHEVML-UHFFFAOYSA-N -1 3 291.301 3.842 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC[C@]12CCCO2 ZINC000887269887 1125780432 /nfs/dbraw/zinc/78/04/32/1125780432.db2.gz DAQRJKUUQKMVDA-NFMLXDHJSA-N -1 3 279.767 3.566 20 30 CHEDHM Cc1ccc(C)c(NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001202770307 1126776381 /nfs/dbraw/zinc/77/63/81/1126776381.db2.gz MFBHLNSQDIZRHN-UHFFFAOYSA-N -1 3 281.315 3.525 20 30 CHEDHM N#CCCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172444 1126837453 /nfs/dbraw/zinc/83/74/53/1126837453.db2.gz AVFUUEJBLVWWPQ-UHFFFAOYSA-N -1 3 282.343 3.642 20 30 CHEDHM O=C([C@H]1CCC(F)(F)C1)N([O-])CCCCc1ccccc1 ZINC000904197392 1126838120 /nfs/dbraw/zinc/83/81/20/1126838120.db2.gz BUNPKUHFGMMJAX-AWEZNQCLSA-N -1 3 297.345 3.663 20 30 CHEDHM CCOc1cc(C=NOC(C)(C)C)cc(Cl)c1[O-] ZINC001116404200 1131143497 /nfs/dbraw/zinc/14/34/97/1131143497.db2.gz DMMNLOHVVBSJHR-UHFFFAOYSA-N -1 3 271.744 3.593 20 30 CHEDHM CC(C)(C)c1nc(C=Cc2cccc(C#N)c2)cc(=O)[n-]1 ZINC000470256048 1127902468 /nfs/dbraw/zinc/90/24/68/1127902468.db2.gz UDJPVHBERIPOQX-FPLPWBNLSA-N -1 3 279.343 3.522 20 30 CHEDHM N#C[C@H](Oc1c([O-])cc(Cl)cc1F)c1cccc(F)c1 ZINC001234444276 1128188968 /nfs/dbraw/zinc/18/89/68/1128188968.db2.gz OAGWBLRYPDKZNU-ZDUSSCGKSA-N -1 3 295.672 3.967 20 30 CHEDHM CCOc1cc(C=NNc2ccccc2)cc(Cl)c1[O-] ZINC000916247472 1128413622 /nfs/dbraw/zinc/41/36/22/1128413622.db2.gz XMXICJJBSCGSLA-UHFFFAOYSA-N -1 3 290.750 3.890 20 30 CHEDHM CC(=NNCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000916343698 1128416970 /nfs/dbraw/zinc/41/69/70/1128416970.db2.gz BGFAFOGRFJXPAJ-UHFFFAOYSA-N -1 3 274.751 3.559 20 30 CHEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C#N)c(C)c2)n1 ZINC000565774636 1128532037 /nfs/dbraw/zinc/53/20/37/1128532037.db2.gz IRTXIGNYUQYJGX-LLVKDONJSA-N -1 3 285.372 3.524 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cc(C)ccc2C)ccc1[O-] ZINC000033474380 1128535278 /nfs/dbraw/zinc/53/52/78/1128535278.db2.gz XXYKJCVMSBNMFH-VURMDHGXSA-N -1 3 282.339 3.914 20 30 CHEDHM CCCCCCCCCN(C)C(=O)c1ccc(O)cc1[O-] ZINC000918668490 1128563631 /nfs/dbraw/zinc/56/36/31/1128563631.db2.gz KCCMLQUDKPYOHE-UHFFFAOYSA-N -1 3 293.407 3.920 20 30 CHEDHM COc1cc(C(=O)/C=C/C=C\c2ccccc2)ccc1[O-] ZINC000920244426 1128675375 /nfs/dbraw/zinc/67/53/75/1128675375.db2.gz VBVRCLPCVZYQPG-VTBWALSUSA-N -1 3 280.323 3.853 20 30 CHEDHM C=C[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000179361334 1117904254 /nfs/dbraw/zinc/90/42/54/1117904254.db2.gz GAXHDAKVPNJGHI-CQSZACIVSA-N -1 3 299.345 3.507 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)ccc1[O-] ZINC000728231575 1118054031 /nfs/dbraw/zinc/05/40/31/1118054031.db2.gz LSTUIFJPFWOUDJ-VMPITWQZSA-N -1 3 299.345 3.802 20 30 CHEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccco1 ZINC001649046064 1118266804 /nfs/dbraw/zinc/26/68/04/1118266804.db2.gz KAFMIBDFFOAGBP-LLVKDONJSA-N -1 3 293.750 3.845 20 30 CHEDHM C=C[C@H](CC)CC(=O)N([O-])Cc1ccccc1Cl ZINC001649046240 1118266924 /nfs/dbraw/zinc/26/69/24/1118266924.db2.gz ONSCIJHIDZCARV-LLVKDONJSA-N -1 3 267.756 3.660 20 30 CHEDHM CC[C@@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC001649052047 1118275311 /nfs/dbraw/zinc/27/53/11/1118275311.db2.gz QVNPNIXTZGYYOY-CQSZACIVSA-N -1 3 263.381 3.663 20 30 CHEDHM CCCCN([O-])C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001649056684 1118283561 /nfs/dbraw/zinc/28/35/61/1118283561.db2.gz GLBSAZYKRFEMQD-UHFFFAOYSA-N -1 3 283.371 3.914 20 30 CHEDHM CCCCCCN([O-])C(=O)CCc1ccc(C)s1 ZINC001649057042 1118284325 /nfs/dbraw/zinc/28/43/25/1118284325.db2.gz OPUBDYPIGXHJSB-UHFFFAOYSA-N -1 3 269.410 3.787 20 30 CHEDHM CCCCN([O-])C(=O)C(C)(C)c1ccccc1Cl ZINC001649061736 1118295443 /nfs/dbraw/zinc/29/54/43/1118295443.db2.gz WSUSFNLJHRZPHP-UHFFFAOYSA-N -1 3 269.772 3.636 20 30 CHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000617042942 1128812696 /nfs/dbraw/zinc/81/26/96/1128812696.db2.gz XKBAXUAUHQIFAL-IAQYHMDHSA-N -1 3 293.794 3.910 20 30 CHEDHM C=CCOc1cccc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000065749344 1119684250 /nfs/dbraw/zinc/68/42/50/1119684250.db2.gz TXOYOYNHBGLUBX-UHFFFAOYSA-N -1 3 283.327 3.518 20 30 CHEDHM N#CC(=C([O-])c1ccc(F)cc1)c1nc(C2CC2)cs1 ZINC000647371121 1119698848 /nfs/dbraw/zinc/69/88/48/1119698848.db2.gz KZMAJJHDMFBAPF-GFCCVEGCSA-N -1 3 286.331 3.650 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2ccc(C(F)(F)F)cc2)c1O ZINC000255863068 1119777047 /nfs/dbraw/zinc/77/70/47/1119777047.db2.gz PMDQFGIMTQVVLR-UHFFFAOYSA-N -1 3 297.232 3.573 20 30 CHEDHM N#CC(=C([O-])c1cccc(C2CCCC2)c1)c1ccncn1 ZINC000659115351 1120015086 /nfs/dbraw/zinc/01/50/86/1120015086.db2.gz WEYKOQULFWQBKP-MRXNPFEDSA-N -1 3 291.354 3.624 20 30 CHEDHM CC(C)(C)c1cc([N-]C(=O)c2nccs2)c(C#N)s1 ZINC000618681199 1128932050 /nfs/dbraw/zinc/93/20/50/1128932050.db2.gz BJMKFTKUTBWQTG-UHFFFAOYSA-N -1 3 291.401 3.626 20 30 CHEDHM CCOc1cc(Nc2cc(C#N)ccc2[O-])ccc1F ZINC001175053498 1121162404 /nfs/dbraw/zinc/16/24/04/1121162404.db2.gz DBUKMTBINZEIHB-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(Cl)c(F)c2)c1 ZINC001175207589 1121222170 /nfs/dbraw/zinc/22/21/70/1121222170.db2.gz DHMPAUZOEKKCKA-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CCOc1c(F)cccc1Nc1cc(C#N)ccc1[O-] ZINC001212536921 1121262233 /nfs/dbraw/zinc/26/22/33/1121262233.db2.gz LZGQCFNZXYRGBL-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM CCc1cc(C#N)ccc1Nc1cccc([O-])c1F ZINC001212549573 1121284836 /nfs/dbraw/zinc/28/48/36/1121284836.db2.gz TYTMJHKNNWTQIM-UHFFFAOYSA-N -1 3 256.280 3.709 20 30 CHEDHM N#Cc1c(F)c(F)cc(Nc2cccc([O-])c2F)c1F ZINC001212553293 1121291471 /nfs/dbraw/zinc/29/14/71/1121291471.db2.gz LZZQVYXHJLYOLB-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccccc2OC(F)F)c1 ZINC001176013033 1121524605 /nfs/dbraw/zinc/52/46/05/1121524605.db2.gz XGWVLOVTGOVRDS-UHFFFAOYSA-N -1 3 276.242 3.609 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3cc(O)ccc3c2)c1 ZINC001176386631 1121608439 /nfs/dbraw/zinc/60/84/39/1121608439.db2.gz DZNITLCPDUDQNF-UHFFFAOYSA-N -1 3 276.295 3.866 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2c(F)ccc(Cl)c2F)c1 ZINC001250089570 1122189347 /nfs/dbraw/zinc/18/93/47/1122189347.db2.gz KJEAGUSQMFXGFS-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001184305818 1122266549 /nfs/dbraw/zinc/26/65/49/1122266549.db2.gz SFYYDMPYYIQKRJ-NEPJUHHUSA-N -1 3 297.345 3.866 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cc2cc(F)ccc2o1 ZINC001184305875 1122266744 /nfs/dbraw/zinc/26/67/44/1122266744.db2.gz VLHUEBMHQVFNMZ-UHFFFAOYSA-N -1 3 279.311 3.984 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001184305821 1122266974 /nfs/dbraw/zinc/26/69/74/1122266974.db2.gz SFYYDMPYYIQKRJ-VXGBXAGGSA-N -1 3 297.345 3.866 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001184305985 1122267054 /nfs/dbraw/zinc/26/70/54/1122267054.db2.gz ZHXQPLULSFESMA-AEFFLSMTSA-N -1 3 287.403 3.689 20 30 CHEDHM CCCCCCN([O-])C(=O)c1csc(-c2ccco2)n1 ZINC001184305733 1122267158 /nfs/dbraw/zinc/26/71/58/1122267158.db2.gz ORJQPTPEUFULKD-UHFFFAOYSA-N -1 3 294.376 3.815 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001184305986 1122267289 /nfs/dbraw/zinc/26/72/89/1122267289.db2.gz ZHXQPLULSFESMA-FUHWJXTLSA-N -1 3 287.403 3.689 20 30 CHEDHM CCCCCCN([O-])C(=O)C1(OC)CCCCCC1 ZINC001184315184 1122268589 /nfs/dbraw/zinc/26/85/89/1122268589.db2.gz SROSCNYQUINCBM-UHFFFAOYSA-N -1 3 271.401 3.524 20 30 CHEDHM CCCCCCCCS(=O)(=O)[N-]c1ncc(C)cc1C ZINC001187994724 1122450101 /nfs/dbraw/zinc/45/01/01/1122450101.db2.gz RBMOKWQITIVAIZ-UHFFFAOYSA-N -1 3 298.452 3.801 20 30 CHEDHM C=CC[C@@H](NC(=O)c1c(C)cccc1[O-])c1ccccc1 ZINC001188659251 1122470660 /nfs/dbraw/zinc/47/06/60/1122470660.db2.gz PHYWQJAFFHSWJX-OAHLLOKOSA-N -1 3 281.355 3.748 20 30 CHEDHM N#CC(=C([O-])C=CSc1ccccc1)c1ccccn1 ZINC000193388114 1129073853 /nfs/dbraw/zinc/07/38/53/1129073853.db2.gz XAMJAAMOHDTVIC-CFRMROPGSA-N -1 3 280.352 3.564 20 30 CHEDHM CCCCCCCOC(=O)Nc1nc(C)ccc1[O-] ZINC001193993680 1122741808 /nfs/dbraw/zinc/74/18/08/1122741808.db2.gz AUQKETVALUUPIO-UHFFFAOYSA-N -1 3 266.341 3.615 20 30 CHEDHM CCCCCCCCOC(=O)Nc1cncc([O-])c1 ZINC001194735181 1122793305 /nfs/dbraw/zinc/79/33/05/1122793305.db2.gz HRTPRLOIYGTSEC-UHFFFAOYSA-N -1 3 266.341 3.696 20 30 CHEDHM CSc1ccc(C)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000775631191 1122834251 /nfs/dbraw/zinc/83/42/51/1122834251.db2.gz QYSUTQGBCDQMLZ-UHFFFAOYSA-N -1 3 289.356 3.584 20 30 CHEDHM C=CCC[C@H](CC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118384 1122871719 /nfs/dbraw/zinc/87/17/19/1122871719.db2.gz FAUXWWJCHJMTMQ-NSHDSACASA-N -1 3 264.394 3.766 20 30 CHEDHM Cc1ccc(NC(=S)Nc2ccc([O-])c(C#N)c2)c(C)c1 ZINC001197994574 1122978968 /nfs/dbraw/zinc/97/89/68/1122978968.db2.gz DSJQARIYOMHJNI-UHFFFAOYSA-N -1 3 297.383 3.690 20 30 CHEDHM CC(C)(C#N)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222013 1123079411 /nfs/dbraw/zinc/07/94/11/1123079411.db2.gz IDJIMCHFXLQWMZ-UHFFFAOYSA-N -1 3 297.314 3.845 20 30 CHEDHM Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000330616118 1123122430 /nfs/dbraw/zinc/12/24/30/1123122430.db2.gz UVHBPKXKVNHUBV-CQSZACIVSA-N -1 3 297.358 3.608 20 30 CHEDHM N#Cc1c2ccccc2sc1Nc1cncc([O-])c1 ZINC001201633873 1123129958 /nfs/dbraw/zinc/12/99/58/1123129958.db2.gz ZIVSQBRLTPEMMS-UHFFFAOYSA-N -1 3 267.313 3.617 20 30 CHEDHM Cc1cc([O-])c(C=NOCCC(F)(F)F)cc1Cl ZINC000853336392 1123434403 /nfs/dbraw/zinc/43/44/03/1123434403.db2.gz XPJWRMIAYYELDN-UHFFFAOYSA-N -1 3 281.661 3.657 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000856032663 1123545308 /nfs/dbraw/zinc/54/53/08/1123545308.db2.gz RLDMMSSAGUQCEW-CQSZACIVSA-N -1 3 261.365 3.503 20 30 CHEDHM CCCCCC[C@H](C)NN=Cc1c(F)ccc([O-])c1F ZINC000794515447 1123868253 /nfs/dbraw/zinc/86/82/53/1123868253.db2.gz KKXPIIAOIZLWIG-NSHDSACASA-N -1 3 284.350 3.953 20 30 CHEDHM Cc1ccc2c(c1)C(=O)/C(=C/c1c(F)ccc([O-])c1F)C2 ZINC000794942047 1124094393 /nfs/dbraw/zinc/09/43/93/1124094393.db2.gz GSJMJHJQTPQVIM-DHZHZOJOSA-N -1 3 286.277 3.801 20 30 CHEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000874861882 1124865998 /nfs/dbraw/zinc/86/59/98/1124865998.db2.gz OIANYUCTOJWIKU-AULYBMBSSA-N -1 3 299.395 3.529 20 30 CHEDHM Cc1cccc([C@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000128462081 1125277069 /nfs/dbraw/zinc/27/70/69/1125277069.db2.gz YLTNUESTKJUHMG-TWIVVOHQSA-N -1 3 289.762 3.507 20 30 CHEDHM C=C(Cl)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000131664524 1125404028 /nfs/dbraw/zinc/40/40/28/1125404028.db2.gz CZHIASQVASCLLF-UHFFFAOYSA-N -1 3 266.555 3.541 20 30 CHEDHM CCCCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132690486 1125421058 /nfs/dbraw/zinc/42/10/58/1125421058.db2.gz RZRWECKCJDXNTG-UHFFFAOYSA-N -1 3 267.344 3.508 20 30 CHEDHM Cc1noc(C)c1[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000733749878 1129269870 /nfs/dbraw/zinc/26/98/70/1129269870.db2.gz DBWWVHXHDAALSJ-QWFSEIHXSA-N -1 3 278.739 3.831 20 30 CHEDHM CCCC(CCc1ccccc1)N=Nc1nc(C)cc(=O)[n-]1 ZINC000740759905 1129417605 /nfs/dbraw/zinc/41/76/05/1129417605.db2.gz CVUQKIWXDUQUTE-UHFFFAOYSA-N -1 3 298.390 3.691 20 30 CHEDHM C=C(C)[C@H]([N-]C(=O)C(F)(F)CC)c1ccc(F)c(F)c1 ZINC000832370590 1129426261 /nfs/dbraw/zinc/42/62/61/1129426261.db2.gz YWSWDHWPDDKJHR-LBPRGKRZSA-N -1 3 289.272 3.744 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(F)cc1F ZINC000745625299 1129610824 /nfs/dbraw/zinc/61/08/24/1129610824.db2.gz VPWXXTVUPDVING-LSCVHKIXSA-N -1 3 281.689 3.943 20 30 CHEDHM C#Cc1ccc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212595397 1129756516 /nfs/dbraw/zinc/75/65/16/1129756516.db2.gz RRHWZSAISSAZNU-UHFFFAOYSA-N -1 3 261.683 3.910 20 30 CHEDHM C=CCCCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000381723841 1129849325 /nfs/dbraw/zinc/84/93/25/1129849325.db2.gz LTLQBLNZIWQZCT-UHFFFAOYSA-N -1 3 281.783 3.912 20 30 CHEDHM O=C([C@H]1CC=CCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091865 1129863218 /nfs/dbraw/zinc/86/32/18/1129863218.db2.gz QOBQPRWMNVQIAV-HNNXBMFYSA-N -1 3 281.355 3.914 20 30 CHEDHM CC(C)=C[C@@H]1[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1(C)C ZINC000900096223 1129864001 /nfs/dbraw/zinc/86/40/01/1129864001.db2.gz WGNRDZIAGSNZMM-HUUCEWRRSA-N -1 3 291.366 3.782 20 30 CHEDHM CCCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901372220 1129917457 /nfs/dbraw/zinc/91/74/57/1129917457.db2.gz VAGKUVNFWIKNND-UHFFFAOYSA-N -1 3 293.363 3.871 20 30 CHEDHM O=C(C[C@@H]1CCCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901370995 1129917580 /nfs/dbraw/zinc/91/75/80/1129917580.db2.gz KCUJJGYXGBXJRM-INIZCTEOSA-N -1 3 299.370 3.517 20 30 CHEDHM O=C(c1cccc(C2CC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901371688 1129917622 /nfs/dbraw/zinc/91/76/22/1129917622.db2.gz HOJHGEYGZVHIAU-UHFFFAOYSA-N -1 3 285.318 3.735 20 30 CHEDHM Cc1cc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901371689 1129917799 /nfs/dbraw/zinc/91/77/99/1129917799.db2.gz HOWXABWCMVTJFR-UHFFFAOYSA-N -1 3 279.336 3.536 20 30 CHEDHM O=C(CCCc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901375398 1129918489 /nfs/dbraw/zinc/91/84/89/1129918489.db2.gz HAHUPWGAHWVBJU-UHFFFAOYSA-N -1 3 287.334 3.566 20 30 CHEDHM CCC[C@@H]1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372317 1129918516 /nfs/dbraw/zinc/91/85/16/1129918516.db2.gz BYNNAHSEAPHULC-HIFRSBDPSA-N -1 3 279.355 3.760 20 30 CHEDHM CCOc1ccc(C=Nc2cccc(C#N)c2C)c([O-])c1 ZINC000769773933 1129923213 /nfs/dbraw/zinc/92/32/13/1129923213.db2.gz MDQRJWWDGGKALF-UHFFFAOYSA-N -1 3 280.327 3.722 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2cncc3ccccc32)c1 ZINC001239947132 1130165606 /nfs/dbraw/zinc/16/56/06/1130165606.db2.gz LYIUUXZDCNPUSX-UFWORHAWSA-N -1 3 266.275 3.849 20 30 CHEDHM [O-]N=Cc1ccccc1-c1cc(F)cc2[nH]ccc21 ZINC001240042285 1130203154 /nfs/dbraw/zinc/20/31/54/1130203154.db2.gz GXFUTBKECCCNTL-UHFFFAOYSA-N -1 3 254.264 3.782 20 30 CHEDHM CCN(CC)C(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001240056965 1130206584 /nfs/dbraw/zinc/20/65/84/1130206584.db2.gz RCKVQDBDOMYGAP-CPNJWEJPSA-N -1 3 296.370 3.644 20 30 CHEDHM Cn1cc(-c2ccc(-c3cc(/C=N/[O-])ccc3F)cc2)cn1 ZINC001240365629 1130279789 /nfs/dbraw/zinc/27/97/89/1130279789.db2.gz PZINRCIBPNDKEA-AWQFTUOYSA-N -1 3 295.317 3.701 20 30 CHEDHM CC[C@@H](C)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000790182809 1130295382 /nfs/dbraw/zinc/29/53/82/1130295382.db2.gz LINUNTIENABHFS-LLVKDONJSA-N -1 3 256.349 3.658 20 30 CHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102912 1130428766 /nfs/dbraw/zinc/42/87/66/1130428766.db2.gz KAVKWFUYDMZKKK-OZSKJFCKSA-N -1 3 299.333 3.519 20 30 CHEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1[O-] ZINC000747061848 1130439825 /nfs/dbraw/zinc/43/98/25/1130439825.db2.gz MXZYXGCNJHATSR-UHFFFAOYSA-N -1 3 299.330 3.753 20 30 CHEDHM CC(C)Oc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001240810888 1130484071 /nfs/dbraw/zinc/48/40/71/1130484071.db2.gz GESCPBUGGZDSNM-MNDPQUGUSA-N -1 3 282.343 3.660 20 30 CHEDHM CC(C)(C#N)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546447 1130538835 /nfs/dbraw/zinc/53/88/35/1130538835.db2.gz HQYZTVDYKPLEJV-UHFFFAOYSA-N -1 3 255.292 3.999 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@H]2CC[C@H](C(F)(F)F)CC2)c1 ZINC001234144197 1130611292 /nfs/dbraw/zinc/61/12/92/1130611292.db2.gz KQQUNZYTRCVWKX-UMSPYCQHSA-N -1 3 285.265 3.764 20 30 CHEDHM Cc1ccc([C@H](C)Oc2cc([O-])cc(C#N)c2)cc1 ZINC001234143938 1130611309 /nfs/dbraw/zinc/61/13/09/1130611309.db2.gz HPRBQVKPKNPEGN-LBPRGKRZSA-N -1 3 253.301 3.712 20 30 CHEDHM Cc1ccc(OC(C)C)c(COc2cc([O-])cc(C#N)c2)c1 ZINC001234144551 1130611743 /nfs/dbraw/zinc/61/17/43/1130611743.db2.gz PWAWUNLDEZBPEL-UHFFFAOYSA-N -1 3 297.354 3.939 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](Oc2cc([O-])cc(C#N)c2)C(C)(C)O1 ZINC001234144565 1130611812 /nfs/dbraw/zinc/61/18/12/1130611812.db2.gz QKIFDUHDIQFDCO-WBVHZDCISA-N -1 3 287.359 3.545 20 30 CHEDHM CCC[C@H](C#Cc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144433 1130612333 /nfs/dbraw/zinc/61/23/33/1130612333.db2.gz ODUKXIXMMWJHLI-GOSISDBHSA-N -1 3 291.350 3.863 20 30 CHEDHM C[C@@H](C#C[Si](C)(C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234262412 1130625945 /nfs/dbraw/zinc/62/59/45/1130625945.db2.gz AMRVGRGRRNAXFK-VIFPVBQESA-N -1 3 286.806 3.833 20 30 CHEDHM N#C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1ccccc1F ZINC001234443504 1130645023 /nfs/dbraw/zinc/64/50/23/1130645023.db2.gz HSUSIXNOIWXRNO-CYBMUJFWSA-N -1 3 295.672 3.967 20 30 CHEDHM C#C[C@H]([N-]c1nc2c(cccc2F)o1)c1ccc(F)cc1 ZINC000812486504 1130697562 /nfs/dbraw/zinc/69/75/62/1130697562.db2.gz SDCIHJVZIJWSIO-ZDUSSCGKSA-N -1 3 284.265 3.892 20 30 CHEDHM N#CC(=C([O-])C1=CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212114 1130746765 /nfs/dbraw/zinc/74/67/65/1130746765.db2.gz XTMMEXSYLVLMAV-LBPRGKRZSA-N -1 3 294.276 3.777 20 30 CHEDHM N#Cc1ncnc2ccc(-c3cc([O-])cc(Cl)c3)cc12 ZINC001235906041 1130801597 /nfs/dbraw/zinc/80/15/97/1130801597.db2.gz HDKCZZYMDOCBHQ-UHFFFAOYSA-N -1 3 281.702 3.527 20 30 CHEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1F ZINC001116377903 1131142398 /nfs/dbraw/zinc/14/23/98/1131142398.db2.gz SAFIXCPRAPXVEX-QPJJXVBHSA-N -1 3 286.302 3.744 20 30 CHEDHM C=CC1(CC(=O)[N-]OC2CCCCC2)CCCCC1 ZINC001138634236 1131530995 /nfs/dbraw/zinc/53/09/95/1131530995.db2.gz VILARJRNAXVFIB-UHFFFAOYSA-N -1 3 265.397 3.894 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000846555964 1131713214 /nfs/dbraw/zinc/71/32/14/1131713214.db2.gz WAFKUIHDHQFSIY-UONOGXRCSA-N -1 3 291.391 3.591 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1cccc2ccccc21 ZINC000846550780 1131713464 /nfs/dbraw/zinc/71/34/64/1131713464.db2.gz RJUATVZKOXDOMM-CQSZACIVSA-N -1 3 299.370 3.621 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)CCCc1csc2ccccc12 ZINC000846548416 1131713479 /nfs/dbraw/zinc/71/34/79/1131713479.db2.gz TUVIUPPFDSTLNZ-LBPRGKRZSA-N -1 3 289.400 3.846 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000846549165 1131713690 /nfs/dbraw/zinc/71/36/90/1131713690.db2.gz NELKHRRQEPVHIQ-NWDGAFQWSA-N -1 3 281.783 3.531 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC2(CCCC2)O1 ZINC000846755965 1131723553 /nfs/dbraw/zinc/72/35/53/1131723553.db2.gz GGGQOQISSYDWND-FNHQQPGVSA-N -1 3 293.794 3.956 20 30 CHEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ncc(Cl)cc2[O-])O1 ZINC001227981783 1131780950 /nfs/dbraw/zinc/78/09/50/1131780950.db2.gz ZPOHJOPDNISFNY-IUODEOHRSA-N -1 3 297.782 3.722 20 30 CHEDHM C=C[C@H](CCCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686675 1131934407 /nfs/dbraw/zinc/93/44/07/1131934407.db2.gz PZLBSCLICPHVCM-LLVKDONJSA-N -1 3 280.324 3.518 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696989 1131934948 /nfs/dbraw/zinc/93/49/48/1131934948.db2.gz CSQRQALDXALWSV-AEGPPILISA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696989 1131934952 /nfs/dbraw/zinc/93/49/52/1131934952.db2.gz CSQRQALDXALWSV-AEGPPILISA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696989 1131934956 /nfs/dbraw/zinc/93/49/56/1131934956.db2.gz CSQRQALDXALWSV-AEGPPILISA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nnc(-c2cccnc2)[n-]1 ZINC001228696990 1131935205 /nfs/dbraw/zinc/93/52/05/1131935205.db2.gz CSQRQALDXALWSV-QEJZJMRPSA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(-c2cccnc2)n[n-]1 ZINC001228696990 1131935209 /nfs/dbraw/zinc/93/52/09/1131935209.db2.gz CSQRQALDXALWSV-QEJZJMRPSA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1n[n-]c(-c2cccnc2)n1 ZINC001228696990 1131935213 /nfs/dbraw/zinc/93/52/13/1131935213.db2.gz CSQRQALDXALWSV-QEJZJMRPSA-N -1 3 298.390 3.626 20 30 CHEDHM C=CCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC001140946861 1131969672 /nfs/dbraw/zinc/96/96/72/1131969672.db2.gz HTHVCDGSKVLYLE-UHFFFAOYSA-N -1 3 285.343 3.556 20 30 CHEDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CC[C@H](C#N)C1 ZINC001228959186 1131986137 /nfs/dbraw/zinc/98/61/37/1131986137.db2.gz URSNNUOAGUCMKS-QWHCGFSZSA-N -1 3 287.359 3.789 20 30 CHEDHM C#C[C@H](CCC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959139 1131987059 /nfs/dbraw/zinc/98/70/59/1131987059.db2.gz RZFLNFUNXSTFFS-CYBMUJFWSA-N -1 3 274.360 3.899 20 30 CHEDHM C[C@H]1COC[C@@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934227 1132133897 /nfs/dbraw/zinc/13/38/97/1132133897.db2.gz WMIYUBKBIGCLFB-ONORYSHOSA-N -1 3 297.354 3.557 20 30 CHEDHM N#CC[C@@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231522857 1132312412 /nfs/dbraw/zinc/31/24/12/1132312412.db2.gz LILJIIHCYLKZDH-NSHDSACASA-N -1 3 298.308 3.537 20 30 CHEDHM C#C[C@@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142115046 1132327358 /nfs/dbraw/zinc/32/73/58/1132327358.db2.gz VEYHBWXNRDISEA-SNVBAGLBSA-N -1 3 284.186 3.544 20 30 CHEDHM C#CCN(Cc1cccc([O-])c1F)[C@@H]1CCc2ccccc21 ZINC001233053265 1132567672 /nfs/dbraw/zinc/56/76/72/1132567672.db2.gz MKFCLPFUJOEROH-QGZVFWFLSA-N -1 3 295.357 3.654 20 30 CHEDHM Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2C)c([O-])c1C ZINC001154148408 1132608676 /nfs/dbraw/zinc/60/86/76/1132608676.db2.gz BFRNAQXZUIVDJU-UHFFFAOYSA-N -1 3 298.317 3.581 20 30 CHEDHM CC(C)(C)c1noc([N-]c2cccc(F)c2F)c1C#N ZINC001173946818 1132654225 /nfs/dbraw/zinc/65/42/25/1132654225.db2.gz KQLKUDMCUPCSJH-UHFFFAOYSA-N -1 3 277.274 3.866 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cnc3ccccc3c2)c1 ZINC001174002288 1132673545 /nfs/dbraw/zinc/67/35/45/1132673545.db2.gz KRABZMVGCYDPLA-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCC=CCCC1 ZINC001233802510 1132681605 /nfs/dbraw/zinc/68/16/05/1132681605.db2.gz HAEJKQGFAJHHKE-OAFGUNLASA-N -1 3 275.348 3.771 20 30 CHEDHM C=CCCCN(CC)C(=O)c1cc([O-])c2ccccc2c1 ZINC001158467297 1132776609 /nfs/dbraw/zinc/77/66/09/1132776609.db2.gz UPZINTOOQVWLHH-UHFFFAOYSA-N -1 3 283.371 3.974 20 30 CHEDHM Cc1noc([N-]c2cc(F)ccc2C(F)(F)F)c1C#N ZINC001174483907 1132856739 /nfs/dbraw/zinc/85/67/39/1132856739.db2.gz QJNKEFNCWCNKCB-UHFFFAOYSA-N -1 3 285.200 3.756 20 30 CHEDHM Cc1ccc([C@@H](C)C(=O)N([O-])Cc2ccccc2Cl)o1 ZINC001161808227 1133030289 /nfs/dbraw/zinc/03/02/89/1133030289.db2.gz YRFRIMKFIIUXRJ-LLVKDONJSA-N -1 3 293.750 3.763 20 30 CHEDHM CCCCCCN([O-])C(=O)c1ccc2ccccc2n1 ZINC001161826858 1133031833 /nfs/dbraw/zinc/03/18/33/1133031833.db2.gz NNCGKGDJAVBGFQ-UHFFFAOYSA-N -1 3 272.348 3.647 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001161826770 1133031931 /nfs/dbraw/zinc/03/19/31/1133031931.db2.gz LGWYCYRQVOGIEA-JKSUJKDBSA-N -1 3 291.391 3.597 20 30 CHEDHM CCCCN([O-])C(=O)Cc1c(Cl)cccc1Cl ZINC001161826496 1133032580 /nfs/dbraw/zinc/03/25/80/1133032580.db2.gz CHNAWKNXJIVTFO-UHFFFAOYSA-N -1 3 276.163 3.554 20 30 CHEDHM O=C(CCC1CCC1)N([O-])CCCCc1ccccc1 ZINC001161819883 1133032945 /nfs/dbraw/zinc/03/29/45/1133032945.db2.gz XSRVKOBBCMOKSQ-UHFFFAOYSA-N -1 3 275.392 3.807 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](CC)Sc1ccccc1 ZINC001161832782 1133033855 /nfs/dbraw/zinc/03/38/55/1133033855.db2.gz UHWYCSBGFHTIPK-ZDUSSCGKSA-N -1 3 267.394 3.575 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3ccccc3n2)c1 ZINC001210820976 1134304200 /nfs/dbraw/zinc/30/42/00/1134304200.db2.gz WWOJFXFVEUQPCB-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM COc1cccc(C(F)(F)F)c1[N-]c1onc(C)c1C#N ZINC001213339499 1134443129 /nfs/dbraw/zinc/44/31/29/1134443129.db2.gz MAJNYCQZZDZTPA-UHFFFAOYSA-N -1 3 297.236 3.626 20 30 CHEDHM N#Cc1cccc(C#N)c1Nc1ccc(Cl)cc1[O-] ZINC001214407500 1134535580 /nfs/dbraw/zinc/53/55/80/1134535580.db2.gz WJTWOVGLQBWIPG-UHFFFAOYSA-N -1 3 269.691 3.533 20 30 CHEDHM N#Cc1ccc(Nc2ccc(Cl)cc2[O-])s1 ZINC001214404891 1134536020 /nfs/dbraw/zinc/53/60/20/1134536020.db2.gz JODUNLAIUCQKPH-UHFFFAOYSA-N -1 3 250.710 3.722 20 30 CHEDHM CC(C)Oc1cc(Nc2cc(C#N)ccc2[O-])ccc1F ZINC001215502468 1134634296 /nfs/dbraw/zinc/63/42/96/1134634296.db2.gz HLTQGKZNRNJKBQ-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM CC(C)c1cc(Nc2cc(C#N)ccc2[O-])ccc1N ZINC001216047810 1134759899 /nfs/dbraw/zinc/75/98/99/1134759899.db2.gz GVJPBJXRJJCGIQ-UHFFFAOYSA-N -1 3 267.332 3.713 20 30 CHEDHM CCc1cc(Nc2cc(F)cc(F)c2[O-])ccc1C#N ZINC001216316892 1134850702 /nfs/dbraw/zinc/85/07/02/1134850702.db2.gz WKZKTJUTHYJWHT-UHFFFAOYSA-N -1 3 274.270 3.848 20 30 CHEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccc(Cl)cc1 ZINC001223978133 1135404731 /nfs/dbraw/zinc/40/47/31/1135404731.db2.gz PZXCLDRUDCIJQV-PXAAABLISA-N -1 3 276.723 3.649 20 30 CHEDHM C#C[C@@H](CCCCC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225999187 1135650228 /nfs/dbraw/zinc/65/02/28/1135650228.db2.gz UNJNHESJTRIZSY-AWEZNQCLSA-N -1 3 260.333 3.556 20 30 CHEDHM C[C@@H](C#C[Si](C)(C)C)Oc1cccc([O-])c1Cl ZINC001226708295 1135732007 /nfs/dbraw/zinc/73/20/07/1135732007.db2.gz CZWSCTCJAWAWQF-JTQLQIEISA-N -1 3 268.816 3.694 20 30 CHEDHM Cc1cccc2c1[C@@H](Oc1cc(C#N)ccc1[O-])CC2 ZINC001227346526 1135824014 /nfs/dbraw/zinc/82/40/14/1135824014.db2.gz VGEZNEPBHKXNNR-HNNXBMFYSA-N -1 3 265.312 3.639 20 30 CHEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc([O-])cc(F)c1 ZINC000334950699 225396102 /nfs/dbraw/zinc/39/61/02/225396102.db2.gz JVLXCQLWIDLOLC-GOSISDBHSA-N -1 3 296.345 3.570 20 30 CHEDHM Cc1csc([N-]C(=O)c2sccc2Cl)c1C#N ZINC000336558612 227114427 /nfs/dbraw/zinc/11/44/27/227114427.db2.gz IRCMRDWBZJOXHO-UHFFFAOYSA-N -1 3 282.777 3.895 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(Cl)c2)n1 ZINC000103329118 261280634 /nfs/dbraw/zinc/28/06/34/261280634.db2.gz WDMPEIRVQJTRGG-LLVKDONJSA-N -1 3 290.775 3.903 20 30 CHEDHM C=CCC[C@H](NCc1nc(CC)cc(=O)[n-]1)c1ccccc1 ZINC000180038959 264390293 /nfs/dbraw/zinc/39/02/93/264390293.db2.gz LJIQRWBXRKRNJO-INIZCTEOSA-N -1 3 297.402 3.542 20 30 CHEDHM Cc1cccc([O-])c1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356611416 266148865 /nfs/dbraw/zinc/14/88/65/266148865.db2.gz BYQFDUUUTWWIAP-OAHLLOKOSA-N -1 3 294.354 3.727 20 30 CHEDHM N#Cc1ccc(/C=C\c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000357128089 266252321 /nfs/dbraw/zinc/25/23/21/266252321.db2.gz KRRDEDYDZQOVSF-IWQZZHSRSA-N -1 3 290.244 3.848 20 30 CHEDHM CC(C)(C)C[C@H](NC(=O)c1csc(=O)[n-]1)C(F)(F)F ZINC000331013665 328473381 /nfs/dbraw/zinc/47/33/81/328473381.db2.gz OCARJCKVJKNMSJ-ZETCQYMHSA-N -1 3 296.314 3.520 20 30 CHEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000189033363 329374933 /nfs/dbraw/zinc/37/49/33/329374933.db2.gz CZWGTTOKGJYWKO-CYBMUJFWSA-N -1 3 253.729 3.586 20 30 CHEDHM CSc1ccc(C)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000048540431 329627145 /nfs/dbraw/zinc/62/71/45/329627145.db2.gz XEFIIFXCJBVXJH-CQSZACIVSA-N -1 3 282.368 3.602 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000265811367 330063134 /nfs/dbraw/zinc/06/31/34/330063134.db2.gz LZBHPGDBNXUIHU-UHFFFAOYSA-N -1 3 298.386 3.759 20 30 CHEDHM C=C(C)CN(CC)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000521257594 333116477 /nfs/dbraw/zinc/11/64/77/333116477.db2.gz MQDNOLJLCPKPGD-UHFFFAOYSA-N -1 3 298.386 3.639 20 30 CHEDHM N#CCC[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000185604474 333144667 /nfs/dbraw/zinc/14/46/67/333144667.db2.gz KURMWFUYBNDTRR-KRWDZBQOSA-N -1 3 284.334 3.666 20 30 CHEDHM Cc1oc(Nc2cc([O-])cc(Cl)c2)c(C#N)c1C ZINC001176622841 1121662830 /nfs/dbraw/zinc/66/28/30/1121662830.db2.gz ZVZHBNHNLAUDAZ-UHFFFAOYSA-N -1 3 262.696 3.871 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(OC(F)F)c2)c1 ZINC001212062732 1125679097 /nfs/dbraw/zinc/67/90/97/1125679097.db2.gz MROJUZGPUSGYII-UHFFFAOYSA-N -1 3 276.242 3.609 20 30 CHEDHM CCCCCCN([O-])C(=O)C[C@@H](C)c1c(C)noc1C ZINC000904204098 1126837847 /nfs/dbraw/zinc/83/78/47/1126837847.db2.gz FIKPPXQDHNUTCJ-LLVKDONJSA-N -1 3 282.384 3.583 20 30 CHEDHM C[C@@H](CC(F)(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192766 1126837860 /nfs/dbraw/zinc/83/78/60/1126837860.db2.gz BQBKRKWAEGDBMK-QMMMGPOBSA-N -1 3 295.688 3.646 20 30 CHEDHM N#CCCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904193808 1126838405 /nfs/dbraw/zinc/83/84/05/1126838405.db2.gz VXJAQBIFLHXDRQ-UHFFFAOYSA-N -1 3 280.755 3.532 20 30 CHEDHM [O-]c1ccc2ccccc2c1C=NOCCC(F)(F)F ZINC000777462627 1126942366 /nfs/dbraw/zinc/94/23/66/1126942366.db2.gz FFVQTWOAMGMBOD-UHFFFAOYSA-N -1 3 283.249 3.848 20 30 CHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)s2)CC)n1 ZINC000193615640 1126969985 /nfs/dbraw/zinc/96/99/85/1126969985.db2.gz FRXSEBTYBIOZBY-DHZHZOJOSA-N -1 3 299.399 3.606 20 30 CHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000035326142 1128284376 /nfs/dbraw/zinc/28/43/76/1128284376.db2.gz SYLIZETUIUKQGT-QPJJXVBHSA-N -1 3 298.338 3.614 20 30 CHEDHM C[C@H]1CC(=NNc2ccc(C#N)cc2)c2c1c(F)ccc2[O-] ZINC000915961919 1128400557 /nfs/dbraw/zinc/40/05/57/1128400557.db2.gz KSIROZOXIAYUJJ-JTQLQIEISA-N -1 3 295.317 3.726 20 30 CHEDHM CC(C)Oc1ccc(N=Cc2cc(Cl)ccc2[O-])cn1 ZINC000917558327 1128505754 /nfs/dbraw/zinc/50/57/54/1128505754.db2.gz LNOOMAIMGFRDII-UHFFFAOYSA-N -1 3 290.750 3.978 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(F)c(F)c1 ZINC000295011514 1117985733 /nfs/dbraw/zinc/98/57/33/1117985733.db2.gz PRBMMKIYRUOSPE-UHFFFAOYSA-N -1 3 289.272 3.528 20 30 CHEDHM Cc1ccsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001649041894 1118219639 /nfs/dbraw/zinc/21/96/39/1118219639.db2.gz ZZGSKCGBYFHXBZ-UHFFFAOYSA-N -1 3 281.764 3.742 20 30 CHEDHM CC1(C)CCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001649045704 1118266032 /nfs/dbraw/zinc/26/60/32/1118266032.db2.gz ADDBPUJQZDWHBI-LBPRGKRZSA-N -1 3 281.783 3.884 20 30 CHEDHM C[C@H]1CCC[C@@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC001649046040 1118267124 /nfs/dbraw/zinc/26/71/24/1118267124.db2.gz JFYHVHMSZGDALQ-NWDGAFQWSA-N -1 3 281.783 3.884 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](SCc1ccccc1)C(C)C ZINC001649061277 1118294618 /nfs/dbraw/zinc/29/46/18/1118294618.db2.gz JUACJJJTRUJTLW-HNNXBMFYSA-N -1 3 295.448 3.962 20 30 CHEDHM O=C(c1csc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC001649069811 1118311828 /nfs/dbraw/zinc/31/18/28/1118311828.db2.gz IORKJZFIXQPIPU-UHFFFAOYSA-N -1 3 285.727 3.572 20 30 CHEDHM CC1(c2ccccc2C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC001649075695 1118319522 /nfs/dbraw/zinc/31/95/22/1118319522.db2.gz BVMYZXWUEPFTLB-UHFFFAOYSA-N -1 3 299.345 3.909 20 30 CHEDHM C=C[C@@H](C)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843564815 1118558880 /nfs/dbraw/zinc/55/88/80/1118558880.db2.gz IGUYOCUQJLLDNX-SSDOTTSWSA-N -1 3 294.128 3.776 20 30 CHEDHM Cc1ccc(F)c(Nc2cc(F)c(F)c(C#N)c2F)c1[O-] ZINC001215742655 1118573693 /nfs/dbraw/zinc/57/36/93/1118573693.db2.gz KGURYGUJHYVHQS-UHFFFAOYSA-N -1 3 296.223 3.872 20 30 CHEDHM C=C[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129408731 1118616897 /nfs/dbraw/zinc/61/68/97/1118616897.db2.gz VTNOWHXHJRVFAQ-GFCCVEGCSA-N -1 3 285.318 3.830 20 30 CHEDHM COc1cc(C(=O)/C=C\c2ccc(C)c(F)c2)ccc1[O-] ZINC000255345443 1118655031 /nfs/dbraw/zinc/65/50/31/1118655031.db2.gz YVXPZWCXIOZHRK-ALCCZGGFSA-N -1 3 286.302 3.744 20 30 CHEDHM CC(C)Oc1cc(F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001212293835 1128829066 /nfs/dbraw/zinc/82/90/66/1128829066.db2.gz FJTWKZAADWPBQO-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM N#CC(=C([O-])C=CSc1ccccc1)c1ccccn1 ZINC000255848354 1119766660 /nfs/dbraw/zinc/76/66/60/1119766660.db2.gz XAMJAAMOHDTVIC-RBJHHQRMSA-N -1 3 280.352 3.564 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCCOC1CCCC1 ZINC000255867823 1119791745 /nfs/dbraw/zinc/79/17/45/1119791745.db2.gz VTPGFLCGPXHOGM-BOPFTXTBSA-N -1 3 281.783 3.814 20 30 CHEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])cc1Cl ZINC001212484310 1120364572 /nfs/dbraw/zinc/36/45/72/1120364572.db2.gz WWMSVUHKWGTNEC-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(F)c1F ZINC001212489481 1120377215 /nfs/dbraw/zinc/37/72/15/1120377215.db2.gz PZKYPQJBAWNMFI-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1cc(F)cc(F)c1Nc1cc(F)cc(F)c1[O-] ZINC001212491681 1120379274 /nfs/dbraw/zinc/37/92/74/1120379274.db2.gz WHGYCGGSUHWKSQ-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc3ncccc32)c1 ZINC001174908654 1121088561 /nfs/dbraw/zinc/08/85/61/1121088561.db2.gz INWYSVVXHJPKGS-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM CC(C)OC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001175259905 1121265825 /nfs/dbraw/zinc/26/58/25/1121265825.db2.gz XBUJRUSHOXMHTQ-UHFFFAOYSA-N -1 3 296.326 3.573 20 30 CHEDHM CC(C)(C)SCC/N=C/c1cc(Cl)ccc1[O-] ZINC000727265312 1121712984 /nfs/dbraw/zinc/71/29/84/1121712984.db2.gz OSJJNQQRLGFCCY-OQLLNIDSSA-N -1 3 271.813 3.996 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccccc1 ZINC000730586109 1121816204 /nfs/dbraw/zinc/81/62/04/1121816204.db2.gz BIGRLKAGURLPHO-LZAIMSLLSA-N -1 3 268.287 3.915 20 30 CHEDHM C=C(C)c1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001180115028 1121953158 /nfs/dbraw/zinc/95/31/58/1121953158.db2.gz SKESGKCIHAJLAH-UHFFFAOYSA-N -1 3 295.264 3.714 20 30 CHEDHM C=C(C)c1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001180115028 1121953163 /nfs/dbraw/zinc/95/31/63/1121953163.db2.gz SKESGKCIHAJLAH-UHFFFAOYSA-N -1 3 295.264 3.714 20 30 CHEDHM [O-]c1ccc2ccccc2c1C=NOC1CCCC1 ZINC000774602143 1122212158 /nfs/dbraw/zinc/21/21/58/1122212158.db2.gz FKXFHFWWQCNNIP-UHFFFAOYSA-N -1 3 255.317 3.839 20 30 CHEDHM CCCCCCN([O-])C(=O)C[C@@H](C)c1ccccc1OC ZINC001184305327 1122266931 /nfs/dbraw/zinc/26/69/31/1122266931.db2.gz GNMOPGSAGPXOPM-CQSZACIVSA-N -1 3 293.407 3.987 20 30 CHEDHM CCCCCCN(O)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001184305935 1122267451 /nfs/dbraw/zinc/26/74/51/1122267451.db2.gz XBHFCWMOXOGZLM-UHFFFAOYSA-N -1 3 279.380 3.927 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC=CCCC1 ZINC001184315089 1122268162 /nfs/dbraw/zinc/26/81/62/1122268162.db2.gz QJPQGQNEBXEUPS-CQSZACIVSA-N -1 3 253.386 3.921 20 30 CHEDHM O=C(c1c(F)cccc1F)N([O-])Cc1ccccc1Cl ZINC001184284031 1122269214 /nfs/dbraw/zinc/26/92/14/1122269214.db2.gz WUAMVCYDBJXYFF-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM N#Cc1ccc(NC(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001184752886 1122294439 /nfs/dbraw/zinc/29/44/39/1122294439.db2.gz AHVHIVSOJAUMFI-UHFFFAOYSA-N -1 3 287.706 3.561 20 30 CHEDHM CCCCCCCCNC(=O)Nc1ccc([O-])cc1C#N ZINC001191072761 1122568877 /nfs/dbraw/zinc/56/88/77/1122568877.db2.gz WVJXWIXTFSVWPU-UHFFFAOYSA-N -1 3 289.379 3.746 20 30 CHEDHM CC(C)Cc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001192474777 1122646566 /nfs/dbraw/zinc/64/65/66/1122646566.db2.gz QSNGHQRZHRANRI-UHFFFAOYSA-N -1 3 294.354 3.715 20 30 CHEDHM CC[C@H](C)n1nc([N-]c2snc(Cl)c2C#N)cc1C ZINC000775701423 1122912375 /nfs/dbraw/zinc/91/23/75/1122912375.db2.gz VJIQFYMBFXKTCO-ZETCQYMHSA-N -1 3 295.799 3.888 20 30 CHEDHM CCc1noc(C)c1[N-]C(=O)c1csc(C(C)(C)C)n1 ZINC000330446681 1123118779 /nfs/dbraw/zinc/11/87/79/1123118779.db2.gz FJFLAYFMGXIIGE-UHFFFAOYSA-N -1 3 293.392 3.936 20 30 CHEDHM COc1ccc(C#N)cc1Nc1cnc2cccc([O-])c2c1 ZINC001201581773 1123127750 /nfs/dbraw/zinc/12/77/50/1123127750.db2.gz CHLNQLZRJOWUAC-UHFFFAOYSA-N -1 3 291.310 3.564 20 30 CHEDHM N#Cc1ccc2ccccc2c1Nc1cncc([O-])c1 ZINC001201636490 1123129965 /nfs/dbraw/zinc/12/99/65/1123129965.db2.gz ZWNYNLUPHIZUMI-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM C=C(C)CN(CC)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000190108874 1123147063 /nfs/dbraw/zinc/14/70/63/1123147063.db2.gz MSJIUBNEZBMYAP-UHFFFAOYSA-N -1 3 291.391 3.609 20 30 CHEDHM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000007333195 1123248949 /nfs/dbraw/zinc/24/89/49/1123248949.db2.gz FYCKSILJZIAITB-PEHNMLCRSA-N -1 3 298.313 3.923 20 30 CHEDHM N#CC1(CNCc2c([O-])ccc(Cl)c2F)CCCCC1 ZINC000850390995 1123262116 /nfs/dbraw/zinc/26/21/16/1123262116.db2.gz AGOPFDDHVQWTDV-UHFFFAOYSA-N -1 3 296.773 3.748 20 30 CHEDHM CCOc1cc(C=NN2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000853380622 1123437937 /nfs/dbraw/zinc/43/79/37/1123437937.db2.gz XQOYLJPQTWDRHE-NSHDSACASA-N -1 3 296.798 3.653 20 30 CHEDHM N#Cc1cc([O-])ccc1-c1ccc(C2(C#N)CCC2)s1 ZINC000854200565 1123475466 /nfs/dbraw/zinc/47/54/66/1123475466.db2.gz RMPXCZKDBPXMMC-UHFFFAOYSA-N -1 3 280.352 3.938 20 30 CHEDHM S=c1[n-]c2ccccc2nc1N=NC1CCSCC1 ZINC000863129997 1123847583 /nfs/dbraw/zinc/84/75/83/1123847583.db2.gz ZNQIVZMXFWHTTC-UHFFFAOYSA-N -1 3 290.417 3.587 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000083938219 1129151830 /nfs/dbraw/zinc/15/18/30/1129151830.db2.gz VKDNGKVPMCYLHO-OFAQMXQXSA-N -1 3 299.333 3.519 20 30 CHEDHM C=C(C)C[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000864529518 1123933641 /nfs/dbraw/zinc/93/36/41/1123933641.db2.gz IUIUVLDTTBCFSZ-QMMMGPOBSA-N -1 3 294.203 3.564 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000794926015 1124074737 /nfs/dbraw/zinc/07/47/37/1124074737.db2.gz HIUZCMBGZSVWAO-SOFGYWHQSA-N -1 3 260.239 3.567 20 30 CHEDHM Cc1cc(OC(C)C)ncc1-c1cccc(/C=N/[O-])c1 ZINC001238827182 1131250829 /nfs/dbraw/zinc/25/08/29/1131250829.db2.gz YSQFYGLNVMOTNX-GIJQJNRQSA-N -1 3 270.332 3.652 20 30 CHEDHM CCn1cccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC001122687520 1131302451 /nfs/dbraw/zinc/30/24/51/1131302451.db2.gz ZTEHGMWRLRDIOJ-LLVKDONJSA-N -1 3 287.388 3.578 20 30 CHEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)oc1C ZINC000532267797 1125244892 /nfs/dbraw/zinc/24/48/92/1125244892.db2.gz FXBDONVBZKWHMQ-GFCCVEGCSA-N -1 3 293.326 3.571 20 30 CHEDHM CCCCC[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC ZINC000751889471 1129383157 /nfs/dbraw/zinc/38/31/57/1129383157.db2.gz BUGOWFYVRDDYCH-NWRYFCBHSA-N -1 3 297.782 3.586 20 30 CHEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000743538176 1129530853 /nfs/dbraw/zinc/53/08/53/1129530853.db2.gz HVPOZUTUFWSQEK-HLGUWXJESA-N -1 3 260.724 3.621 20 30 CHEDHM C[C@@H](CC#N)N(C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000103460633 1129763738 /nfs/dbraw/zinc/76/37/38/1129763738.db2.gz IYMRCKVBOHYRNL-LBPRGKRZSA-N -1 3 298.386 3.751 20 30 CHEDHM CC(C)=C[C@@H]1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1(C)C ZINC000900096221 1129864219 /nfs/dbraw/zinc/86/42/19/1129864219.db2.gz WGNRDZIAGSNZMM-CABCVRRESA-N -1 3 291.366 3.782 20 30 CHEDHM Cc1ccoc1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370593 1129917552 /nfs/dbraw/zinc/91/75/52/1129917552.db2.gz ANFBLCFKPOQJOT-UHFFFAOYSA-N -1 3 295.338 3.702 20 30 CHEDHM CCC1(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901371175 1129917563 /nfs/dbraw/zinc/91/75/63/1129917563.db2.gz OGFMEDZDOQQZDL-UHFFFAOYSA-N -1 3 269.344 3.748 20 30 CHEDHM CC1(C)C[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369912 1129917665 /nfs/dbraw/zinc/91/76/65/1129917665.db2.gz JRIGUDMRIFCIBV-OAHLLOKOSA-N -1 3 269.344 3.604 20 30 CHEDHM CC[C@@H]1CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371793 1129917709 /nfs/dbraw/zinc/91/77/09/1129917709.db2.gz IHJNHYHNROXNNA-HIFRSBDPSA-N -1 3 279.355 3.760 20 30 CHEDHM Cc1cc(Cl)cc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372162 1129917715 /nfs/dbraw/zinc/91/77/15/1129917715.db2.gz SPKAUWGBWBVELD-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM CC(C)(C)CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374492 1129918469 /nfs/dbraw/zinc/91/84/69/1129918469.db2.gz KOUOEAZXPOLASU-UHFFFAOYSA-N -1 3 267.344 3.760 20 30 CHEDHM C[C@H]1CCCC[C@@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374276 1129918522 /nfs/dbraw/zinc/91/85/22/1129918522.db2.gz HWDGBGQPIQSBNV-GXTWGEPZSA-N -1 3 279.355 3.760 20 30 CHEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000901378079 1129919089 /nfs/dbraw/zinc/91/90/89/1129919089.db2.gz HPTRYIHVIDIKIA-QMMMGPOBSA-N -1 3 288.174 3.757 20 30 CHEDHM COc1ccc(C)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001239767778 1130098998 /nfs/dbraw/zinc/09/89/98/1130098998.db2.gz BPLXUNMWWRXHDK-VLGSPTGOSA-N -1 3 267.328 3.795 20 30 CHEDHM Cc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1F ZINC001239822655 1130124774 /nfs/dbraw/zinc/12/47/74/1130124774.db2.gz IIEWFFAPPPPXDC-VLGSPTGOSA-N -1 3 255.292 3.926 20 30 CHEDHM COc1cc(NN=Cc2ccc([O-])c(F)c2)ccc1Cl ZINC000788472539 1130188761 /nfs/dbraw/zinc/18/87/61/1130188761.db2.gz WQYRFZIKUXZJRF-UHFFFAOYSA-N -1 3 294.713 3.639 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cccc3cnccc32)cc1F ZINC001240010859 1130192305 /nfs/dbraw/zinc/19/23/05/1130192305.db2.gz YMNNJNMAVMTYFK-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM COc1ccc(F)c(-c2ccc(/C(C)=N/[O-])cc2)c1 ZINC001240119881 1130216398 /nfs/dbraw/zinc/21/63/98/1130216398.db2.gz FENBMHQCJYYAPL-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM [O-]/N=C1/CCc2cc(-c3ccc(C(F)(F)F)nc3)ccc21 ZINC001240271789 1130254096 /nfs/dbraw/zinc/25/40/96/1130254096.db2.gz DVHOGIJXUWYCBE-MOSHPQCFSA-N -1 3 292.260 3.892 20 30 CHEDHM N#CC1(c2cccc(-c3ccc([O-])c(F)c3)c2)CCOCC1 ZINC001240787840 1130471279 /nfs/dbraw/zinc/47/12/79/1130471279.db2.gz SPBBPYYUYPSOER-UHFFFAOYSA-N -1 3 297.329 3.770 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cc([O-])cc(C#N)c2)O1 ZINC001234144530 1130611913 /nfs/dbraw/zinc/61/19/13/1130611913.db2.gz PLTFCNLVOUWBPI-RDJZCZTQSA-N -1 3 287.359 3.545 20 30 CHEDHM [O-]c1ccc2ccccc2c1C=NOC/C=C\Cl ZINC000811671476 1130634527 /nfs/dbraw/zinc/63/45/27/1130634527.db2.gz GBALXXZJVBQWOO-WFXYSFRUSA-N -1 3 261.708 3.648 20 30 CHEDHM C=C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234451144 1130645431 /nfs/dbraw/zinc/64/54/31/1130645431.db2.gz FRCXFLMLAHILRH-CQSZACIVSA-N -1 3 266.300 3.575 20 30 CHEDHM N#CC(=C([O-])C=C1CCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813218477 1130747660 /nfs/dbraw/zinc/74/76/60/1130747660.db2.gz PMIBPJYUCDCDJB-LBPRGKRZSA-N -1 3 294.276 3.777 20 30 CHEDHM CCOc1cc(C=NOCCC2CC2)cc(Cl)c1[O-] ZINC000814246558 1130855907 /nfs/dbraw/zinc/85/59/07/1130855907.db2.gz RSUQGTYERBWUPK-UHFFFAOYSA-N -1 3 283.755 3.595 20 30 CHEDHM Cc1c(-c2ccccc2C=N[O-])cnn1-c1ccccc1 ZINC001236406043 1130930641 /nfs/dbraw/zinc/93/06/41/1130930641.db2.gz PPXRWJOYPDVDSQ-UHFFFAOYSA-N -1 3 277.327 3.656 20 30 CHEDHM Cc1c(-c2ccc(/C=N/[O-])c(F)c2)cnn1-c1ccccc1 ZINC001236406100 1130930701 /nfs/dbraw/zinc/93/07/01/1130930701.db2.gz WGXANEYQZGYBOB-KEBDBYFISA-N -1 3 295.317 3.795 20 30 CHEDHM CCOc1ccc(NN=C(C)c2ccc([O-])c(F)c2)cc1 ZINC000814984771 1130947643 /nfs/dbraw/zinc/94/76/43/1130947643.db2.gz HWVHNLFKEADFML-UHFFFAOYSA-N -1 3 288.322 3.766 20 30 CHEDHM C#Cc1cccc(N(CC)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000815378201 1130985374 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C=CC[C@@H](Oc1[n-]c(=S)ncc1C1CC1)C(C)C ZINC001226121087 1135665807 /nfs/dbraw/zinc/66/58/07/1135665807.db2.gz YRUTUSVOUSKAAL-GFCCVEGCSA-N -1 3 264.394 3.622 20 30 CHEDHM C=C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226120329 1135666123 /nfs/dbraw/zinc/66/61/23/1135666123.db2.gz SAKXLIIOSCYBHL-AWEZNQCLSA-N -1 3 284.384 3.949 20 30 CHEDHM CC[C@@H](C#Cc1ccccc1)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226342873 1135685779 /nfs/dbraw/zinc/68/57/79/1135685779.db2.gz ZHNRJSMVECHPJW-AWEZNQCLSA-N -1 3 297.310 3.510 20 30 CHEDHM C=CC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226481244 1135702023 /nfs/dbraw/zinc/70/20/23/1135702023.db2.gz DLPPKPAEULKSQM-MRXNPFEDSA-N -1 3 298.338 3.997 20 30 CHEDHM C=CC[C@@H](Oc1cc(=O)[n-]c(C)n1)c1ccc(Cl)cc1 ZINC001226510631 1135706199 /nfs/dbraw/zinc/70/61/99/1135706199.db2.gz DGWUQNLPTNMMTK-CYBMUJFWSA-N -1 3 290.750 3.840 20 30 CHEDHM C=C[C@H](CCCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531732 1135708948 /nfs/dbraw/zinc/70/89/48/1135708948.db2.gz 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/nfs/dbraw/zinc/32/79/78/262327978.db2.gz QSTUKNMWBYTQGU-HNNXBMFYSA-N -1 3 299.345 3.507 20 30 CHEDHM C=CC[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000188523542 264135867 /nfs/dbraw/zinc/13/58/67/264135867.db2.gz NVLGAPVQBBSTAV-CQSZACIVSA-N -1 3 267.328 3.691 20 30 CHEDHM C=C[C@](C)(CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000189033563 264269691 /nfs/dbraw/zinc/26/96/91/264269691.db2.gz MEUCNJHVUKHRMU-CYBMUJFWSA-N -1 3 298.180 3.696 20 30 CHEDHM Cc1ncc(CO)c(/C=N/c2ccc(C3CCC3)cc2)c1[O-] ZINC000278164791 328223904 /nfs/dbraw/zinc/22/39/04/328223904.db2.gz CPZKDSKLDLNVDU-KEBDBYFISA-N -1 3 296.370 3.606 20 30 CHEDHM C=CC[C@@H](CC)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000368185767 328936669 /nfs/dbraw/zinc/93/66/69/328936669.db2.gz WEELAJODPDKGDU-CYBMUJFWSA-N -1 3 298.390 3.573 20 30 CHEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc([O-])cc(F)c1 ZINC000186197246 329339289 /nfs/dbraw/zinc/33/92/89/329339289.db2.gz FSTAJQOIVGMPME-UHFFFAOYSA-N -1 3 296.345 3.591 20 30 CHEDHM C=C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436779286 330685189 /nfs/dbraw/zinc/68/51/89/330685189.db2.gz VCBYTQGQNBAHFH-CYBMUJFWSA-N -1 3 292.338 3.955 20 30 CHEDHM C=CCC1(C(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000450049990 330959821 /nfs/dbraw/zinc/95/98/21/330959821.db2.gz ZPNFVJHYVXECDX-UHFFFAOYSA-N -1 3 263.312 3.606 20 30 CHEDHM C=CCN(Cc1ccc(Cl)s1)CC1(CC(=O)[O-])CC1 ZINC000581671952 336125987 /nfs/dbraw/zinc/12/59/87/336125987.db2.gz OKWJLVANPBEXFG-UHFFFAOYSA-N -1 3 299.823 3.644 20 30 CHEDHM CCc1cc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000046706128 1125469514 /nfs/dbraw/zinc/46/95/14/1125469514.db2.gz AJFVHDDHWYDDNI-LBPRGKRZSA-N -1 3 270.357 3.504 20 30 CHEDHM C=CCCCC[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901913607 980625218 /nfs/dbraw/zinc/62/52/18/980625218.db2.gz ZVFUCBBGPUYJRT-GHMZBOCLSA-N -1 3 282.409 3.627 20 30 CHEDHM C#CC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001588421805 983442709 /nfs/dbraw/zinc/44/27/09/983442709.db2.gz OKSPZWSCLFECRL-SWLSCSKDSA-N -1 3 299.395 3.862 20 30 CHEDHM CC(C)c1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000049004991 1125491150 /nfs/dbraw/zinc/49/11/50/1125491150.db2.gz YMLJLGQTNAOXQX-GFCCVEGCSA-N -1 3 270.357 3.757 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N\C1CCCC1 ZINC000103010849 1120020497 /nfs/dbraw/zinc/02/04/97/1120020497.db2.gz PLTFPIBRPBNXKB-ZSOIEALJSA-N -1 3 268.154 3.516 20 30 CHEDHM CC[C@@H](C)n1nc([N-]c2snc(Cl)c2C#N)cc1C ZINC000775701422 1122911652 /nfs/dbraw/zinc/91/16/52/1122911652.db2.gz VJIQFYMBFXKTCO-SSDOTTSWSA-N -1 3 295.799 3.888 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@H]1CC1(F)F ZINC000856719971 1123565591 /nfs/dbraw/zinc/56/55/91/1123565591.db2.gz XXJJLFLQLAYNKA-JUAVFEPTSA-N -1 3 259.683 3.510 20 30 CHEDHM COCCC1(C/N=C/c2cc(Cl)ccc2[O-])CCC1 ZINC000760211231 1125301455 /nfs/dbraw/zinc/30/14/55/1125301455.db2.gz NJYWQAVSXUHMCY-LICLKQGHSA-N -1 3 281.783 3.671 20 30 CHEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1c([O-])cccc1F ZINC000886578137 1125693214 /nfs/dbraw/zinc/69/32/14/1125693214.db2.gz LBGHDTAYBQVAQW-GFCCVEGCSA-N -1 3 296.345 3.743 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC2(CCC2)O1 ZINC000887269898 1125781370 /nfs/dbraw/zinc/78/13/70/1125781370.db2.gz DDBOTPJZTPITEG-ZLYHGVDXSA-N -1 3 279.767 3.566 20 30 CHEDHM CC(C)[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000771521674 1129983689 /nfs/dbraw/zinc/98/36/89/1129983689.db2.gz VCYPXEUNJCMPJW-NXLQUEFTSA-N -1 3 281.783 3.668 20 30 CHEDHM COc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000780149268 1130218937 /nfs/dbraw/zinc/21/89/37/1130218937.db2.gz KLOILICWXZASGE-UHFFFAOYSA-N -1 3 279.698 3.944 20 30 CHEDHM O=C(CC1CCSCC1)N([O-])Cc1ccccc1Cl ZINC000904190154 1126837058 /nfs/dbraw/zinc/83/70/58/1126837058.db2.gz INFXNLZDTQGDRI-UHFFFAOYSA-N -1 3 299.823 3.591 20 30 CHEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904192213 1126838387 /nfs/dbraw/zinc/83/83/87/1126838387.db2.gz DQWJORPNVHMNKO-MRVPVSSYSA-N -1 3 295.688 3.646 20 30 CHEDHM CCCCN([O-])C(=O)CCCCC(=O)c1ccc(F)cc1 ZINC000904212329 1126839043 /nfs/dbraw/zinc/83/90/43/1126839043.db2.gz OMCUHIZVVNBQEU-UHFFFAOYSA-N -1 3 295.354 3.587 20 30 CHEDHM C=C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621977223 1129211913 /nfs/dbraw/zinc/21/19/13/1129211913.db2.gz ACAXGRHKOCLRGH-GFCCVEGCSA-N -1 3 299.292 3.592 20 30 CHEDHM CC(=NOCCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000777456214 1126938631 /nfs/dbraw/zinc/93/86/31/1126938631.db2.gz TZZMEZDBAXGQOU-UHFFFAOYSA-N -1 3 281.661 3.739 20 30 CHEDHM CC(C)(C#N)CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000782626537 1130784771 /nfs/dbraw/zinc/78/47/71/1130784771.db2.gz FTALVYFWXLLQEF-UHFFFAOYSA-N -1 3 289.162 3.808 20 30 CHEDHM C[C@@H]1C[C@@H](CC/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000783684676 1130847402 /nfs/dbraw/zinc/84/74/02/1130847402.db2.gz GZIVTWVISGMXLS-VGZAMENASA-N -1 3 281.783 3.670 20 30 CHEDHM Cc1ccc(F)c(-c2ccc(C)c(C#N)c2C)c1[O-] ZINC001236414380 1130932567 /nfs/dbraw/zinc/93/25/67/1130932567.db2.gz KMGOSYBNIAKTJN-UHFFFAOYSA-N -1 3 255.292 3.995 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC)c1ccc(F)cc1F ZINC000815665949 1131013695 /nfs/dbraw/zinc/01/36/95/1131013695.db2.gz YJOUYBXBJUELRG-LBPRGKRZSA-N -1 3 289.272 3.744 20 30 CHEDHM N#CC1(CC(=O)Nc2c([O-])cccc2Cl)CCCCC1 ZINC000597701059 1127559475 /nfs/dbraw/zinc/55/94/75/1127559475.db2.gz QQVSQGJUDUZMEM-UHFFFAOYSA-N -1 3 292.766 3.848 20 30 CHEDHM COc1ccc(-c2ccc([O-])c(C#N)c2)cc1N1CCCC1 ZINC000593953524 1127752779 /nfs/dbraw/zinc/75/27/79/1127752779.db2.gz NXKYUIRVCRDCLX-UHFFFAOYSA-N -1 3 294.354 3.540 20 30 CHEDHM CC[C@H](Nc1cc(C)ccn1)c1cccc(C#N)c1[O-] ZINC000925724017 1128139017 /nfs/dbraw/zinc/13/90/17/1128139017.db2.gz VPIQIWQDHOMOFS-AWEZNQCLSA-N -1 3 267.332 3.531 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N/CC1CCCC1 ZINC000914701973 1128232305 /nfs/dbraw/zinc/23/23/05/1128232305.db2.gz UMPQOEJKPOZTPS-OQLLNIDSSA-N -1 3 282.181 3.764 20 30 CHEDHM Cc1ccccc1OCC/N=C/c1cc(Cl)ccc1[O-] ZINC000917557958 1128506026 /nfs/dbraw/zinc/50/60/26/1128506026.db2.gz JMWQNJZZYHFPLT-WOJGMQOQSA-N -1 3 289.762 3.852 20 30 CHEDHM Cc1ccc(NC2=CC[C@H](C#N)CC2)c(Cl)c1[O-] ZINC001212863931 1128675813 /nfs/dbraw/zinc/67/58/13/1128675813.db2.gz KLTINVSJYRGKQJ-JTQLQIEISA-N -1 3 262.740 3.974 20 30 CHEDHM CN(C)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000920943630 1128695550 /nfs/dbraw/zinc/69/55/50/1128695550.db2.gz XXOZVJVCGIYEGB-UHFFFAOYSA-N -1 3 274.751 3.862 20 30 CHEDHM CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231975 1118053235 /nfs/dbraw/zinc/05/32/35/1118053235.db2.gz PELIJAIBRXJAJV-CLFYSBASSA-N -1 3 282.339 3.995 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)ccc1[O-] ZINC000035326137 1118248026 /nfs/dbraw/zinc/24/80/26/1118248026.db2.gz MRLJTNKMGCGZFZ-UXBLZVDNSA-N -1 3 281.355 3.663 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cccc(OC(C)(C)C)n1 ZINC001649056660 1118283070 /nfs/dbraw/zinc/28/30/70/1118283070.db2.gz FKGLVUDDMAUENH-UHFFFAOYSA-N -1 3 294.395 3.671 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1c(C)cccc1Cl ZINC001649056458 1118283343 /nfs/dbraw/zinc/28/33/43/1118283343.db2.gz AKKORXWPSQLXPJ-UHFFFAOYSA-N -1 3 283.799 3.989 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](CC)C1CCC(C)CC1 ZINC001649061183 1118293473 /nfs/dbraw/zinc/29/34/73/1118293473.db2.gz IAOWPOOGHHMGDC-JXQTWKCFSA-N -1 3 255.402 3.857 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](c1ccccc1)[C@H](C)CC ZINC001649061109 1118293905 /nfs/dbraw/zinc/29/39/05/1118293905.db2.gz HHMFCWWJPMMPNK-HIFRSBDPSA-N -1 3 263.381 3.834 20 30 CHEDHM CCCCN([O-])C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001649061511 1118295754 /nfs/dbraw/zinc/29/57/54/1118295754.db2.gz PDLQZWLDRLGZBE-UHFFFAOYSA-N -1 3 290.190 3.944 20 30 CHEDHM CC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255314739 1118606691 /nfs/dbraw/zinc/60/66/91/1118606691.db2.gz PCQKLHPDOMDVCP-UHFFFAOYSA-N -1 3 273.719 3.999 20 30 CHEDHM COc1cc(C(=O)/C=C\c2ccc(F)c(C)c2)ccc1[O-] ZINC000255375158 1118724170 /nfs/dbraw/zinc/72/41/70/1118724170.db2.gz PDEFQYGGIUKOGU-DAXSKMNVSA-N -1 3 286.302 3.744 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1nc2ccccc2[nH]1 ZINC000255555530 1119227711 /nfs/dbraw/zinc/22/77/11/1119227711.db2.gz AYVMGRLHZXTJQD-ZDLGFXPLSA-N -1 3 299.761 3.584 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cc(F)ccc2F)ccc1[O-] ZINC000207700101 1120308779 /nfs/dbraw/zinc/30/87/79/1120308779.db2.gz IVFSKACRJMMTRC-KXFIGUGUSA-N -1 3 290.265 3.575 20 30 CHEDHM C=CCCc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417037999 1120396946 /nfs/dbraw/zinc/39/69/46/1120396946.db2.gz VYXZDXHNZCSJRQ-UHFFFAOYSA-N -1 3 295.386 3.790 20 30 CHEDHM COc1ccc(C)cc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000198286629 1120667583 /nfs/dbraw/zinc/66/75/83/1120667583.db2.gz ROQZDIPJSWRCMG-VOTSOKGWSA-N -1 3 298.338 3.614 20 30 CHEDHM Cc1cccc2cc(C([O-])=C(C#N)c3ccccn3)oc21 ZINC000147032981 1120733999 /nfs/dbraw/zinc/73/39/99/1120733999.db2.gz RZFKZOYYQWZIKY-CYBMUJFWSA-N -1 3 276.295 3.626 20 30 CHEDHM CCCCCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000078505822 1128942567 /nfs/dbraw/zinc/94/25/67/1128942567.db2.gz NPZMVECPXMLLRG-UHFFFAOYSA-N -1 3 281.371 3.898 20 30 CHEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cocn1 ZINC000105369544 1120972278 /nfs/dbraw/zinc/97/22/78/1120972278.db2.gz WNLLDVOXOSFOHC-UHFFFAOYSA-N -1 3 295.323 3.527 20 30 CHEDHM COc1cc(C)c(Nc2cc(C#N)ccc2[O-])cc1C ZINC001175115254 1121170649 /nfs/dbraw/zinc/17/06/49/1121170649.db2.gz VXANRBVHPVHHOA-UHFFFAOYSA-N -1 3 268.316 3.633 20 30 CHEDHM C#Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001175098118 1121184680 /nfs/dbraw/zinc/18/46/80/1121184680.db2.gz YOIPYZIBLAPEMW-UHFFFAOYSA-N -1 3 263.218 3.534 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2c(F)cc(F)c(F)c2F)c1 ZINC001176351038 1121612797 /nfs/dbraw/zinc/61/27/97/1121612797.db2.gz KAOVRFUJSGVYMY-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1c(F)c(F)cc(Nc2ccc([O-])cc2F)c1F ZINC001176416743 1121629711 /nfs/dbraw/zinc/62/97/11/1121629711.db2.gz DMKZITDTAHTAEL-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM COc1cc(C#N)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001176624872 1121664263 /nfs/dbraw/zinc/66/42/63/1121664263.db2.gz WSHLGGSXGDPNAE-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM CCCCCCCNC(=S)Nc1ccc([O-])c(F)c1 ZINC001249641947 1121669263 /nfs/dbraw/zinc/66/92/63/1121669263.db2.gz ONACTTRLDINYAY-UHFFFAOYSA-N -1 3 284.400 3.788 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccc(F)cc1F ZINC000732623144 1121929942 /nfs/dbraw/zinc/92/99/42/1121929942.db2.gz ZWBFPNNVTUOYEA-OCKHKDLRSA-N -1 3 295.716 3.985 20 30 CHEDHM CCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1CC ZINC000774543067 1122184907 /nfs/dbraw/zinc/18/49/07/1122184907.db2.gz WAESNTMRWUSNNH-UHFFFAOYSA-N -1 3 285.343 3.679 20 30 CHEDHM CC(=NOC1CCCC1)c1cc(Br)ccc1[O-] ZINC000774597722 1122210501 /nfs/dbraw/zinc/21/05/01/1122210501.db2.gz WUQYYTIYWSTHRJ-UHFFFAOYSA-N -1 3 298.180 3.838 20 30 CHEDHM CCCCN([O-])C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC001184314653 1122267244 /nfs/dbraw/zinc/26/72/44/1122267244.db2.gz FBMABZLDBLEKHW-GFCCVEGCSA-N -1 3 289.297 3.741 20 30 CHEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)C1CCC1 ZINC001184293491 1122269264 /nfs/dbraw/zinc/26/92/64/1122269264.db2.gz VOOGWMIBMQBHTG-AWEZNQCLSA-N -1 3 275.392 3.663 20 30 CHEDHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N([O-])CCCCc1ccccc1 ZINC001184293051 1122269893 /nfs/dbraw/zinc/26/98/93/1122269893.db2.gz CJBRDLDCPWGGLE-FVQHAEBGSA-N -1 3 287.403 3.663 20 30 CHEDHM C[C@H]1CC[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001184283039 1122269972 /nfs/dbraw/zinc/26/99/72/1122269972.db2.gz ASJJZWDAVJAPNC-NWDGAFQWSA-N -1 3 281.783 3.884 20 30 CHEDHM CCSCc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000434625458 1122387189 /nfs/dbraw/zinc/38/71/89/1122387189.db2.gz JIMBHKQJJYTBEB-HNNXBMFYSA-N -1 3 296.395 3.825 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2ccc(C3CCC3)cc2)c1O ZINC000775234434 1122495784 /nfs/dbraw/zinc/49/57/84/1122495784.db2.gz RMBXSWLKSLYREE-UHFFFAOYSA-N -1 3 283.327 3.822 20 30 CHEDHM C=C(C)Cc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001190224263 1122529565 /nfs/dbraw/zinc/52/95/65/1122529565.db2.gz JOYWJGXDKPLKMX-UHFFFAOYSA-N -1 3 285.318 3.902 20 30 CHEDHM Cc1noc([N-]C(=O)Nc2ccccc2C(C)C)c1C#N ZINC001192217300 1122635966 /nfs/dbraw/zinc/63/59/66/1122635966.db2.gz HYRKXHBUMCFWSG-UHFFFAOYSA-N -1 3 284.319 3.622 20 30 CHEDHM COc1ccc(C#N)cc1Nc1ccc(C)c([O-])c1Cl ZINC001201588292 1123128461 /nfs/dbraw/zinc/12/84/61/1123128461.db2.gz QYSVSAQCEPHLHB-UHFFFAOYSA-N -1 3 288.734 3.978 20 30 CHEDHM CC(C)(C)O[C@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000852998888 1123417840 /nfs/dbraw/zinc/41/78/40/1123417840.db2.gz SVPQZNXPGHMSSN-ONNOSLIASA-N -1 3 281.783 3.811 20 30 CHEDHM CCOc1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227351704 1123727127 /nfs/dbraw/zinc/72/71/27/1123727127.db2.gz XQOVFVGTQYYNEJ-GFCCVEGCSA-N -1 3 283.327 3.803 20 30 CHEDHM CCCCCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000863363207 1123865295 /nfs/dbraw/zinc/86/52/95/1123865295.db2.gz QSKGGCYJWRZMLR-UHFFFAOYSA-N -1 3 294.424 3.522 20 30 CHEDHM C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1cccc(C#N)c1[O-] ZINC000866237203 1124039333 /nfs/dbraw/zinc/03/93/33/1124039333.db2.gz GIEXRXWXZAHKBW-BFQNTYOBSA-N -1 3 296.370 3.831 20 30 CHEDHM C[C@H](NC1(c2ccccc2F)CC1)c1cccc(C#N)c1[O-] ZINC000866319825 1124051895 /nfs/dbraw/zinc/05/18/95/1124051895.db2.gz CHOWNLABDFYTBS-LBPRGKRZSA-N -1 3 296.345 3.743 20 30 CHEDHM Cc1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794933623 1124084589 /nfs/dbraw/zinc/08/45/89/1124084589.db2.gz KBBALRDKBVRTHG-ALCCZGGFSA-N -1 3 274.266 3.875 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(F)c(F)c1 ZINC000794934280 1124084849 /nfs/dbraw/zinc/08/48/49/1124084849.db2.gz QDFBRCCELHDUGH-GORDUTHDSA-N -1 3 296.219 3.845 20 30 CHEDHM N#CCC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142115139 1124464488 /nfs/dbraw/zinc/46/44/88/1124464488.db2.gz YPGAXEVBKOFUPL-UHFFFAOYSA-N -1 3 299.201 3.825 20 30 CHEDHM C#CCCCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000760256647 1125373489 /nfs/dbraw/zinc/37/34/89/1125373489.db2.gz JGLUNJWBMGZJQD-UHFFFAOYSA-N -1 3 274.147 3.672 20 30 CHEDHM O=C(N([O-])Cc1cccc2ccccc21)C1(C(F)F)CC1 ZINC000901371399 1129917558 /nfs/dbraw/zinc/91/75/58/1129917558.db2.gz TZMVLDNYFTZTFX-UHFFFAOYSA-N -1 3 291.297 3.603 20 30 CHEDHM CCc1ccc(F)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372291 1129917583 /nfs/dbraw/zinc/91/75/83/1129917583.db2.gz WEAMPFNSCBLGIF-UHFFFAOYSA-N -1 3 291.297 3.559 20 30 CHEDHM C=CCOCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371106 1129917684 /nfs/dbraw/zinc/91/76/84/1129917684.db2.gz MFCWHMSTHSMRJD-UHFFFAOYSA-N -1 3 299.370 3.540 20 30 CHEDHM O=C(C[C@H]1CCCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901370996 1129917724 /nfs/dbraw/zinc/91/77/24/1129917724.db2.gz KCUJJGYXGBXJRM-MRXNPFEDSA-N -1 3 299.370 3.517 20 30 CHEDHM O=C(c1ccc(Cl)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376759 1129918531 /nfs/dbraw/zinc/91/85/31/1129918531.db2.gz ZJHHFNXFCBPWGZ-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM O=C([C@@H]1CC12CC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380222 1129918705 /nfs/dbraw/zinc/91/87/05/1129918705.db2.gz PLDUXDBLAIEJBG-NSHDSACASA-N -1 3 286.158 3.511 20 30 CHEDHM O=C(c1cc2ccccc2o1)N([O-])Cc1ccc(F)cc1 ZINC000901379346 1129919064 /nfs/dbraw/zinc/91/90/64/1129919064.db2.gz VRDSENMMCMMFLU-UHFFFAOYSA-N -1 3 285.274 3.604 20 30 CHEDHM C[C@H](NCC1(C#N)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000903033070 1130102864 /nfs/dbraw/zinc/10/28/64/1130102864.db2.gz OTYFEWBNNHPCKP-JTQLQIEISA-N -1 3 298.308 3.755 20 30 CHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102917 1130429040 /nfs/dbraw/zinc/42/90/40/1130429040.db2.gz KAVKWFUYDMZKKK-ZPUOCTKUSA-N -1 3 299.333 3.519 20 30 CHEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccc(F)c1F ZINC001234144267 1130611321 /nfs/dbraw/zinc/61/13/21/1130611321.db2.gz MFNBCXLEKAKAFB-VIFPVBQESA-N -1 3 275.254 3.682 20 30 CHEDHM CC#CC[C@H](CC)Oc1c([O-])cc(Cl)cc1F ZINC001234443489 1130644424 /nfs/dbraw/zinc/64/44/24/1130644424.db2.gz HJYCJYDLTQSYDR-JTQLQIEISA-N -1 3 256.704 3.756 20 30 CHEDHM N#C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1cccc(F)c1 ZINC001234444272 1130644450 /nfs/dbraw/zinc/64/44/50/1130644450.db2.gz OAGWBLRYPDKZNU-CYBMUJFWSA-N -1 3 295.672 3.967 20 30 CHEDHM C=C[C@H](CCCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693287 1130673755 /nfs/dbraw/zinc/67/37/55/1130673755.db2.gz VUFLAGBRIOUOSL-CQSZACIVSA-N -1 3 284.359 3.973 20 30 CHEDHM COc1cc(C=NNc2ccccc2F)cc(Cl)c1[O-] ZINC000812459662 1130694314 /nfs/dbraw/zinc/69/43/14/1130694314.db2.gz DSGMJYLILWHIIG-UHFFFAOYSA-N -1 3 294.713 3.639 20 30 CHEDHM N#C[C@@H]1CCCN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234990625 1130701414 /nfs/dbraw/zinc/70/14/14/1130701414.db2.gz IRKOPBDSVQERKC-INIZCTEOSA-N -1 3 278.355 3.547 20 30 CHEDHM C#C[C@H](NCc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC000812792599 1130715207 /nfs/dbraw/zinc/71/52/07/1130715207.db2.gz FBQXPDPUDAWSAK-HNNXBMFYSA-N -1 3 289.737 3.649 20 30 CHEDHM CCc1cnc(/C=C\C(=O)c2ccc([O-])c(C)c2)s1 ZINC000783707447 1130849143 /nfs/dbraw/zinc/84/91/43/1130849143.db2.gz PWGLAVZGPUHEOM-SREVYHEPSA-N -1 3 273.357 3.616 20 30 CHEDHM N#Cc1cc2ccc(-c3cncc([O-])c3)cc2s1 ZINC001236579671 1130979326 /nfs/dbraw/zinc/97/93/26/1130979326.db2.gz BWMINJRCTAEDQA-UHFFFAOYSA-N -1 3 252.298 3.541 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC(F)(F)C1 ZINC000797399348 1130983823 /nfs/dbraw/zinc/98/38/23/1130983823.db2.gz WSJXMPWCYUIDGI-PCYPHTAMSA-N -1 3 273.710 3.900 20 30 CHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000818991781 1131224593 /nfs/dbraw/zinc/22/45/93/1131224593.db2.gz JNEJPBQEBZYGEI-OXVNWCFQSA-N -1 3 296.086 3.524 20 30 CHEDHM Cc1cc(C)cc(NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001202849086 1131529154 /nfs/dbraw/zinc/52/91/54/1131529154.db2.gz MLPOQTRCNVOQJY-UHFFFAOYSA-N -1 3 281.315 3.525 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000846534829 1131713332 /nfs/dbraw/zinc/71/33/32/1131713332.db2.gz CYTXHCRMKMNZNY-CQSZACIVSA-N -1 3 291.391 3.593 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000846545707 1131713808 /nfs/dbraw/zinc/71/38/08/1131713808.db2.gz PKPQNYJBVPVELU-UONOGXRCSA-N -1 3 261.365 3.501 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(Cl)c2F)c1 ZINC001203037844 1131744601 /nfs/dbraw/zinc/74/46/01/1131744601.db2.gz RJVVECQIGBSTOT-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CC[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC001171255481 1131750721 /nfs/dbraw/zinc/75/07/21/1131750721.db2.gz NBAUJOGAFFDBRQ-HNNXBMFYSA-N -1 3 294.354 3.552 20 30 CHEDHM CCC#C[C@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228153949 1131818928 /nfs/dbraw/zinc/81/89/28/1131818928.db2.gz IELMDJMJJYIRPP-AWEZNQCLSA-N -1 3 294.350 3.804 20 30 CHEDHM N#C[C@H]1CC[C@@H](Oc2cc(-c3ccccc3)nc(=S)[n-]2)C1 ZINC001228351260 1131865796 /nfs/dbraw/zinc/86/57/96/1131865796.db2.gz FQPAIHDFCFDQMK-WCQYABFASA-N -1 3 297.383 3.503 20 30 CHEDHM CCC#C[C@@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958628 1131986796 /nfs/dbraw/zinc/98/67/96/1131986796.db2.gz NNVSLALVJITNFA-GFCCVEGCSA-N -1 3 274.360 3.899 20 30 CHEDHM C#C[C@@H](CC)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229538073 1132083641 /nfs/dbraw/zinc/08/36/41/1132083641.db2.gz OWPWIUINDNGLDS-INIZCTEOSA-N -1 3 294.350 3.722 20 30 CHEDHM CCCC(=O)[C@H](CCC)Oc1ccccc1/C(C)=N/[O-] ZINC001229736561 1132111976 /nfs/dbraw/zinc/11/19/76/1132111976.db2.gz DSXNOUJHJMBCKL-WLSWZUKCSA-N -1 3 277.364 3.802 20 30 CHEDHM C[C@H](CS)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229937307 1132133615 /nfs/dbraw/zinc/13/36/15/1132133615.db2.gz LKDCUTIGINKXNG-YXHQGMJNSA-N -1 3 287.384 3.840 20 30 CHEDHM CCOC[C@@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934408 1132133870 /nfs/dbraw/zinc/13/38/70/1132133870.db2.gz YYWWBIPYLPFMSR-ONDHQXCVSA-N -1 3 299.370 3.947 20 30 CHEDHM CCCCCCCC[C@H](CC)Nc1cnc(C)[n-]c1=O ZINC001172503559 1132252864 /nfs/dbraw/zinc/25/28/64/1132252864.db2.gz RVZMNRCOSLVRCV-LSDHHAIUSA-N -1 3 279.428 3.503 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231117387 1132258139 /nfs/dbraw/zinc/25/81/39/1132258139.db2.gz AEPYNGVCPVJXTF-CJNGLKHVSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231117387 1132258146 /nfs/dbraw/zinc/25/81/46/1132258146.db2.gz AEPYNGVCPVJXTF-CJNGLKHVSA-N -1 3 296.374 3.547 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCc2ccccc21 ZINC001233522186 1132632063 /nfs/dbraw/zinc/63/20/63/1132632063.db2.gz CYUGQWQQMJAKGT-GOSISDBHSA-N -1 3 277.323 3.849 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@H](C#N)c1cccc(F)c1 ZINC001233530316 1132632622 /nfs/dbraw/zinc/63/26/22/1132632622.db2.gz KSHVOADIDVZPCR-QGZVFWFLSA-N -1 3 294.285 3.566 20 30 CHEDHM C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001155982058 1132674447 /nfs/dbraw/zinc/67/44/47/1132674447.db2.gz CYQKNDFHXWEBAA-ZDUSSCGKSA-N -1 3 261.365 3.600 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCc2ccccc21 ZINC001233799321 1132680191 /nfs/dbraw/zinc/68/01/91/1132680191.db2.gz HXSYDMUNPOKJIC-LZNAANCOSA-N -1 3 283.327 3.570 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC=CCCC1 ZINC001233802509 1132681832 /nfs/dbraw/zinc/68/18/32/1132681832.db2.gz HAEJKQGFAJHHKE-JPFQQNEPSA-N -1 3 275.348 3.771 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](CC(C)C)C(C)C ZINC001233803070 1132682017 /nfs/dbraw/zinc/68/20/17/1132682017.db2.gz LBOSIDVGYBOJGO-ZXMBATIKSA-N -1 3 279.380 3.953 20 30 CHEDHM C=C[C@@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccccc1 ZINC001233807158 1132682715 /nfs/dbraw/zinc/68/27/15/1132682715.db2.gz NSAWVAVHKVDNIU-GYZOOYGHSA-N -1 3 283.327 3.809 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](Oc2cccc([O-])c2F)C(C)(C)O1 ZINC001233870544 1132690717 /nfs/dbraw/zinc/69/07/17/1132690717.db2.gz FPAQCGOVPSFYIS-CJNGLKHVSA-N -1 3 280.339 3.812 20 30 CHEDHM Cc1ccc(Nc2cc(C#N)ccc2[O-])c(Cl)c1 ZINC001174045656 1132708672 /nfs/dbraw/zinc/70/86/72/1132708672.db2.gz LKPMUBLIOQYKOH-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](CC)c1ccccc1 ZINC001161826956 1133032492 /nfs/dbraw/zinc/03/24/92/1133032492.db2.gz QTJAYMWPYOVJKE-HNNXBMFYSA-N -1 3 263.381 3.978 20 30 CHEDHM CC1(C(=O)N([O-])Cc2cccc3ccccc32)CC=CC1 ZINC001161842398 1133035772 /nfs/dbraw/zinc/03/57/72/1133035772.db2.gz CMXXGHDZQWMZKF-UHFFFAOYSA-N -1 3 281.355 3.914 20 30 CHEDHM N#Cc1ccc(C=CNc2nc3c(cccc3[O-])s2)cc1 ZINC001203298151 1133311104 /nfs/dbraw/zinc/31/11/04/1133311104.db2.gz HTIIQJZRFULGBG-CMDGGOBGSA-N -1 3 293.351 3.956 20 30 CHEDHM N#Cc1ccc(-c2ccc([O-])cc2F)c2cc[nH]c21 ZINC001206072714 1133652969 /nfs/dbraw/zinc/65/29/69/1133652969.db2.gz FSKBGWGFBMFVCM-UHFFFAOYSA-N -1 3 252.248 3.551 20 30 CHEDHM N#Cc1c(F)c(Cl)ccc1Nc1cccc(F)c1[O-] ZINC001210204106 1134166255 /nfs/dbraw/zinc/16/62/55/1134166255.db2.gz LZXKHOMRSWUMAG-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1cc(Nc2ccc(Cl)c(F)c2C#N)ccc1[O-] ZINC001210533665 1134241106 /nfs/dbraw/zinc/24/11/06/1134241106.db2.gz BUZAPVVPFAMBOY-UHFFFAOYSA-N -1 3 287.681 3.672 20 30 CHEDHM N#Cc1cc(F)ccc1Nc1ccc([O-])c(Cl)c1 ZINC001210555341 1134247599 /nfs/dbraw/zinc/24/75/99/1134247599.db2.gz YYLAOASBTRTWKB-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1cc(O)ccc1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210828832 1134305990 /nfs/dbraw/zinc/30/59/90/1134305990.db2.gz XHKRZBAWCDEGFB-UHFFFAOYSA-N -1 3 294.232 3.732 20 30 CHEDHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1C#N ZINC001216073409 1134766603 /nfs/dbraw/zinc/76/66/03/1134766603.db2.gz ARDCTSRAWPQDNY-UHFFFAOYSA-N -1 3 290.326 3.502 20 30 CHEDHM COc1cccc(Nc2cc(C)c([O-])c(Cl)c2)c1C#N ZINC001216087943 1134773799 /nfs/dbraw/zinc/77/37/99/1134773799.db2.gz KRIJQZAHEGKDJS-UHFFFAOYSA-N -1 3 288.734 3.978 20 30 CHEDHM Cc1ccc(C#N)cc1Nc1cc(Cl)ccc1[O-] ZINC001216400778 1134883298 /nfs/dbraw/zinc/88/32/98/1134883298.db2.gz CSYKGHGVZQSYAG-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM C/C(=N\[O-])c1ccc(-c2ccc(Cl)c(CO)c2F)cc1 ZINC001222373832 1135232760 /nfs/dbraw/zinc/23/27/60/1135232760.db2.gz SPJIQKPMPSARHO-GIJQJNRQSA-N -1 3 293.725 3.837 20 30 CHEDHM C=C[C@@H](CCCCC)Oc1ccc2c([O-])coc2c1 ZINC001225343280 1135547520 /nfs/dbraw/zinc/54/75/20/1135547520.db2.gz SUDSFBGCXCMSPW-LBPRGKRZSA-N -1 3 260.333 3.775 20 30 CHEDHM Cc1ccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c(C)c1 ZINC001225469840 1135571492 /nfs/dbraw/zinc/57/14/92/1135571492.db2.gz OTDCNLRQKRBWJL-CYBMUJFWSA-N -1 3 282.343 3.724 20 30 CHEDHM Cc1cccc2c1[C@@H](Oc1cccc(/C=N/[O-])c1)CC2 ZINC001226110200 1135663381 /nfs/dbraw/zinc/66/33/81/1135663381.db2.gz ONDOHKBBNYKDPI-GYKGCMEESA-N -1 3 267.328 3.869 20 30 CHEDHM C[C@@H](Cc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226114616 1135663944 /nfs/dbraw/zinc/66/39/44/1135663944.db2.gz NHFARPJRNMVMJA-VLURKWGBSA-N -1 3 255.317 3.505 20 30 CHEDHM COc1ccc([C@H](C)Oc2cccc(/C=N/[O-])c2)cc1 ZINC001226113844 1135664488 /nfs/dbraw/zinc/66/44/88/1135664488.db2.gz AOJJIUYEBHTBCI-OOIIIRTPSA-N -1 3 271.316 3.643 20 30 CHEDHM Cc1ccc(OC[C@H](C)Oc2cccc(/C=N/[O-])c2)cc1 ZINC001226113952 1135664493 /nfs/dbraw/zinc/66/44/93/1135664493.db2.gz BYJYGUQLDMBQFQ-BGARDKSCSA-N -1 3 285.343 3.649 20 30 CHEDHM C=C(C)C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)C(=C)C ZINC001226119193 1135665247 /nfs/dbraw/zinc/66/52/47/1135665247.db2.gz KXBZCPNKEQSJEA-CYBMUJFWSA-N -1 3 276.405 3.932 20 30 CHEDHM C=CC[C@@H](CCC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120983 1135665712 /nfs/dbraw/zinc/66/57/12/1135665712.db2.gz XEHNOEOKLWALKB-NSHDSACASA-N -1 3 264.394 3.766 20 30 CHEDHM C=CC[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1 ZINC001226301250 1135682000 /nfs/dbraw/zinc/68/20/00/1135682000.db2.gz XPQDSRDJLRCGPV-OAHLLOKOSA-N -1 3 298.411 3.950 20 30 CHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cccc(F)c1 ZINC001227345039 1135824045 /nfs/dbraw/zinc/82/40/45/1135824045.db2.gz IELUAULLFRRNTP-SNVBAGLBSA-N -1 3 257.264 3.543 20 30 CHEDHM CC(C)C1CCC(Oc2cc(C#N)ccc2[O-])CC1 ZINC001227351693 1135825531 /nfs/dbraw/zinc/82/55/31/1135825531.db2.gz XOTSLYVTDINTJU-UHFFFAOYSA-N -1 3 259.349 3.857 20 30 CHEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@H]1CCCCO1 ZINC000049212537 260204078 /nfs/dbraw/zinc/20/40/78/260204078.db2.gz MOKKGBRILSSODQ-CRRKTRLDSA-N -1 3 269.344 3.533 20 30 CHEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@@H]1CCCCO1 ZINC000049212536 260204124 /nfs/dbraw/zinc/20/41/24/260204124.db2.gz MOKKGBRILSSODQ-QCUKBLKESA-N -1 3 269.344 3.533 20 30 CHEDHM Cc1c(C(=O)/C=C/c2cc([O-])cc(F)c2)cnn1C(C)C ZINC000188892936 262163864 /nfs/dbraw/zinc/16/38/64/262163864.db2.gz ZUAJRONCKBLLCU-SNAWJCMRSA-N -1 3 288.322 3.513 20 30 CHEDHM Cc1ncc(CO)c(/C=N/c2cccc(C3CCC3)c2)c1[O-] ZINC000290959738 263119370 /nfs/dbraw/zinc/11/93/70/263119370.db2.gz NEUSBSFWRBQTSZ-KEBDBYFISA-N -1 3 296.370 3.606 20 30 CHEDHM C=CCC(C)(C)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000340785542 263303625 /nfs/dbraw/zinc/30/36/25/263303625.db2.gz BXQZAGJWPOTACD-UHFFFAOYSA-N -1 3 284.319 3.573 20 30 CHEDHM C=CCC(C)(C)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000340785542 263303628 /nfs/dbraw/zinc/30/36/28/263303628.db2.gz BXQZAGJWPOTACD-UHFFFAOYSA-N -1 3 284.319 3.573 20 30 CHEDHM Cc1cccc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c1[O-] ZINC000331236816 264175327 /nfs/dbraw/zinc/17/53/27/264175327.db2.gz MUBPMHPCJHFIDU-ZIAGYGMSSA-N -1 3 291.391 3.599 20 30 CHEDHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000125555950 329584308 /nfs/dbraw/zinc/58/43/08/329584308.db2.gz MNLRIDIMEDVTTI-NSHDSACASA-N -1 3 299.399 3.611 20 30 CHEDHM C=CCSc1ccccc1C(=O)Nc1ccccc1[O-] ZINC000486119675 331931988 /nfs/dbraw/zinc/93/19/88/331931988.db2.gz WNQPJPSQELJEAF-UHFFFAOYSA-N -1 3 285.368 3.923 20 30 CHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)ccc1Cl ZINC000135027301 334112595 /nfs/dbraw/zinc/11/25/95/334112595.db2.gz CEDIWJXFRXIFEN-LBPRGKRZSA-N -1 3 270.719 3.534 20 30 CHEDHM CC1CC(C#N)(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])C1 ZINC000548816748 334175185 /nfs/dbraw/zinc/17/51/85/334175185.db2.gz NNINYPUAKJQCAZ-UHFFFAOYSA-N -1 3 286.375 3.568 20 30 CHEDHM Cc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c([O-])c1 ZINC000181388179 335759972 /nfs/dbraw/zinc/75/99/72/335759972.db2.gz VHPXNLLIDHRLPZ-UHFFFAOYSA-N -1 3 292.338 3.508 20 30 CHEDHM CSc1cccc(C)c1[N-]C(=O)c1sccc1C#N ZINC000184643311 335930391 /nfs/dbraw/zinc/93/03/91/335930391.db2.gz POQBXQNTDMSPHG-UHFFFAOYSA-N -1 3 288.397 3.902 20 30 CHEDHM CCCC[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736441277 598437640 /nfs/dbraw/zinc/43/76/40/598437640.db2.gz OSFQXJPRDQRVIX-GFCCVEGCSA-N -1 3 298.394 3.625 20 30 CHEDHM CCCC[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736441277 598437641 /nfs/dbraw/zinc/43/76/41/598437641.db2.gz OSFQXJPRDQRVIX-GFCCVEGCSA-N -1 3 298.394 3.625 20 30 CHEDHM C#CC[C@@H](NCc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000833360663 605133928 /nfs/dbraw/zinc/13/39/28/605133928.db2.gz NLHRLMFWFAUPRQ-OAHLLOKOSA-N -1 3 299.395 3.609 20 30 CHEDHM C=CCC[C@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC000833373029 605144618 /nfs/dbraw/zinc/14/46/18/605144618.db2.gz DKSMOTVNFKLLFG-HNNXBMFYSA-N -1 3 285.343 3.775 20 30 CHEDHM C=CCCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823899225 946510322 /nfs/dbraw/zinc/51/03/22/946510322.db2.gz QSKIHRCJNBWXGU-UHFFFAOYSA-N -1 3 280.784 3.578 20 30 CHEDHM C=CCCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823899225 946510331 /nfs/dbraw/zinc/51/03/31/946510331.db2.gz QSKIHRCJNBWXGU-UHFFFAOYSA-N -1 3 280.784 3.578 20 30 CHEDHM Cc1ccc(C#N)c(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212484331 1120364388 /nfs/dbraw/zinc/36/43/88/1120364388.db2.gz XZDLAVCDGXVPPY-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM C=CCCO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000856031567 1123545477 /nfs/dbraw/zinc/54/54/77/1123545477.db2.gz UWVIZSYVMAFBHZ-UHFFFAOYSA-N -1 3 288.174 3.550 20 30 CHEDHM N#CCCN(Cc1ccc(Cl)c([O-])c1)C1CCCC1 ZINC001231737012 1132350489 /nfs/dbraw/zinc/35/04/89/1132350489.db2.gz JYTHQPDGHRYMOE-UHFFFAOYSA-N -1 3 278.783 3.704 20 30 CHEDHM C[C@@H]1C[C@H](CC/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000783684675 1130847386 /nfs/dbraw/zinc/84/73/86/1130847386.db2.gz GZIVTWVISGMXLS-SYRODZOTSA-N -1 3 281.783 3.670 20 30 CHEDHM CCC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354458640 1127308900 /nfs/dbraw/zinc/30/89/00/1127308900.db2.gz CCKQRPJFFJWNSQ-HNNXBMFYSA-N -1 3 293.370 3.654 20 30 CHEDHM N#CC(=C([O-])c1ccc(C#N)cc1)c1ccc2ccccc2n1 ZINC000047376192 1128670306 /nfs/dbraw/zinc/67/03/06/1128670306.db2.gz LRNBCISKIIHORJ-INIZCTEOSA-N -1 3 297.317 3.597 20 30 CHEDHM CC(=NNc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000920383652 1128679185 /nfs/dbraw/zinc/67/91/85/1128679185.db2.gz IHBRRNJXZDTBHE-UHFFFAOYSA-N -1 3 262.259 3.507 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(Cl)nc1 ZINC000255008766 1117967715 /nfs/dbraw/zinc/96/77/15/1117967715.db2.gz QBZPGOQJSKQXAH-PXNMLYILSA-N -1 3 281.142 3.713 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cc(F)ccc2F)ccc1[O-] ZINC000728231996 1118053069 /nfs/dbraw/zinc/05/30/69/1118053069.db2.gz PTQMNYVURHXWIQ-FARCUNLSSA-N -1 3 274.266 3.875 20 30 CHEDHM Cc1ccc(F)c(-c2cc(C#N)cc3[nH]ccc32)c1[O-] ZINC001236413489 1128752802 /nfs/dbraw/zinc/75/28/02/1128752802.db2.gz AFGXCYHKCPKRHI-UHFFFAOYSA-N -1 3 266.275 3.860 20 30 CHEDHM COc1ccsc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000764431410 1118091559 /nfs/dbraw/zinc/09/15/59/1118091559.db2.gz COEFVWNVYVXFEF-AATRIKPKSA-N -1 3 274.341 3.667 20 30 CHEDHM CC1(C)CC(=O)C=C(Nc2cccc(Cl)c2[O-])C1 ZINC001210151657 1118173581 /nfs/dbraw/zinc/17/35/81/1118173581.db2.gz NHQFYIWCDYYYAY-UHFFFAOYSA-N -1 3 265.740 3.731 20 30 CHEDHM CCCCCCN([O-])C(=O)C1(c2ccccc2F)CC1 ZINC001649056715 1118283127 /nfs/dbraw/zinc/28/31/27/1118283127.db2.gz HCLNJPSYGPIUSI-UHFFFAOYSA-N -1 3 279.355 3.655 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC001649061111 1118293198 /nfs/dbraw/zinc/29/31/98/1118293198.db2.gz HHMFCWWJPMMPNK-UKRRQHHQSA-N -1 3 263.381 3.834 20 30 CHEDHM C[C@]1(c2ccccc2)C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649075879 1118320384 /nfs/dbraw/zinc/32/03/84/1118320384.db2.gz ISCQERLFNKRZMX-FUHWJXTLSA-N -1 3 299.345 3.521 20 30 CHEDHM CC(C)c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255172133 1118387427 /nfs/dbraw/zinc/38/74/27/1118387427.db2.gz BYNFDXRAUURTOV-UHFFFAOYSA-N -1 3 271.316 3.677 20 30 CHEDHM N#CC(=C([O-])c1cc2c(s1)CCCC2)c1ccccn1 ZINC000046705626 1119075804 /nfs/dbraw/zinc/07/58/04/1119075804.db2.gz PZQMNQMEBVFVIK-GFCCVEGCSA-N -1 3 282.368 3.512 20 30 CHEDHM N#Cc1ccc(CCNc2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001167682872 1119702382 /nfs/dbraw/zinc/70/23/82/1119702382.db2.gz WWDKHCMUPFVUIL-UHFFFAOYSA-N -1 3 293.395 3.508 20 30 CHEDHM Cc1ccc(N(CCC#N)C(=O)c2cccc(C)c2[O-])cc1 ZINC000179484283 1119740076 /nfs/dbraw/zinc/74/00/76/1119740076.db2.gz VMWLWQLEYYKTBJ-UHFFFAOYSA-N -1 3 294.354 3.570 20 30 CHEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000417604544 1120462196 /nfs/dbraw/zinc/46/21/96/1120462196.db2.gz BZRBBFUEYSCVIQ-SNVBAGLBSA-N -1 3 288.174 3.502 20 30 CHEDHM CCOc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001175042167 1121156441 /nfs/dbraw/zinc/15/64/41/1121156441.db2.gz MCACQPPQYAHXLG-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM CC(C)Oc1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175143133 1121200274 /nfs/dbraw/zinc/20/02/74/1121200274.db2.gz UCHZWTLYCDHTDU-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM CCOc1cc(Nc2ccc([O-])c(C#N)c2)c(F)cc1F ZINC001212532447 1121238835 /nfs/dbraw/zinc/23/88/35/1121238835.db2.gz DAJJGSHOQKPTHS-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM CCOc1cccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001175238979 1121239174 /nfs/dbraw/zinc/23/91/74/1121239174.db2.gz MKYVKGPEUXBNES-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM CCOc1ccc(F)c(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001175283129 1121251817 /nfs/dbraw/zinc/25/18/17/1121251817.db2.gz LFTYNUBJEQYMNW-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3ncccc3c2)c1 ZINC001175375849 1121304014 /nfs/dbraw/zinc/30/40/14/1121304014.db2.gz BBXRWJFYEUMEPI-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM CCCOc1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175599917 1121380643 /nfs/dbraw/zinc/38/06/43/1121380643.db2.gz OQVBAWYTIINQRR-UHFFFAOYSA-N -1 3 268.316 3.796 20 30 CHEDHM Cc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1F ZINC001176093991 1121537928 /nfs/dbraw/zinc/53/79/28/1121537928.db2.gz JWIDRAVUTUXMPT-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CS[C@@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091815 1121539687 /nfs/dbraw/zinc/53/96/87/1121539687.db2.gz OMXYJYGGMCELJW-LBPRGKRZSA-N -1 3 289.400 3.699 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CC1CCSCC1 ZINC000733205058 1121965378 /nfs/dbraw/zinc/96/53/78/1121965378.db2.gz IYPIXLBKIZRAKX-OQLLNIDSSA-N -1 3 269.797 3.608 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001184305983 1122267343 /nfs/dbraw/zinc/26/73/43/1122267343.db2.gz ZHBYYRULQJEZEL-LSDHHAIUSA-N -1 3 261.365 3.588 20 30 CHEDHM CCCCN([O-])C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC001184315239 1122267949 /nfs/dbraw/zinc/26/79/49/1122267949.db2.gz VVXIHCKCAUDQIX-UHFFFAOYSA-N -1 3 279.355 3.556 20 30 CHEDHM CCCCN([O-])C(=O)c1oc2ccc(F)cc2c1C ZINC001184314835 1122268552 /nfs/dbraw/zinc/26/85/52/1122268552.db2.gz MURFIOZDNHSJDP-UHFFFAOYSA-N -1 3 265.284 3.512 20 30 CHEDHM C[C@@H]1CC[C@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001184283038 1122269145 /nfs/dbraw/zinc/26/91/45/1122269145.db2.gz ASJJZWDAVJAPNC-NEPJUHHUSA-N -1 3 281.783 3.884 20 30 CHEDHM CC1(C)CCCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184349170 1122272935 /nfs/dbraw/zinc/27/29/35/1122272935.db2.gz XQKBUZWVIVGQFK-AWEZNQCLSA-N -1 3 279.355 3.760 20 30 CHEDHM Cc1cc([O-])ccc1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001186173686 1122379571 /nfs/dbraw/zinc/37/95/71/1122379571.db2.gz MUHBPKJCHFHJAB-UHFFFAOYSA-N -1 3 292.294 3.571 20 30 CHEDHM CC(C)(C#N)c1cccc(C(=O)Nc2ccc(F)c([O-])c2)c1 ZINC001190938293 1122560502 /nfs/dbraw/zinc/56/05/02/1122560502.db2.gz JZAPXJQZHMYTLB-UHFFFAOYSA-N -1 3 298.317 3.585 20 30 CHEDHM CCCCCCCNC(=O)Nc1c([O-])cccc1C(C)=O ZINC001191106796 1122573164 /nfs/dbraw/zinc/57/31/64/1122573164.db2.gz QRNGWBQXRWOOJH-UHFFFAOYSA-N -1 3 292.379 3.687 20 30 CHEDHM C[C@@H](CCO)C1(C/N=C/c2cc(Cl)ccc2[O-])CCC1 ZINC000775632402 1122835857 /nfs/dbraw/zinc/83/58/57/1122835857.db2.gz YNHKCCLTKIIINZ-NNLQFVHNSA-N -1 3 295.810 3.653 20 30 CHEDHM C[C@H](CCO)C1(C/N=C\c2cc(Cl)ccc2[O-])CCC1 ZINC000775632400 1122836799 /nfs/dbraw/zinc/83/67/99/1122836799.db2.gz YNHKCCLTKIIINZ-HIPMGEKLSA-N -1 3 295.810 3.653 20 30 CHEDHM N#Cc1cccc2c(Nc3cncc([O-])c3)cccc12 ZINC001201640806 1123129792 /nfs/dbraw/zinc/12/97/92/1123129792.db2.gz FUEAIZCZDYIAER-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM Cc1cccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001202305065 1123193877 /nfs/dbraw/zinc/19/38/77/1123193877.db2.gz GEVOVFSENUKARS-UHFFFAOYSA-N -1 3 298.346 3.796 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccs1 ZINC000794927535 1123414652 /nfs/dbraw/zinc/41/46/52/1123414652.db2.gz SPVFZGMOISZZDK-HWKANZROSA-N -1 3 266.268 3.628 20 30 CHEDHM [O-]c1ccc(F)c(C=NNc2ccccc2Cl)c1F ZINC000794453715 1123833941 /nfs/dbraw/zinc/83/39/41/1123833941.db2.gz VMFSPOAGOIBIDS-UHFFFAOYSA-N -1 3 282.677 3.770 20 30 CHEDHM C#CCCCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863125396 1123846323 /nfs/dbraw/zinc/84/63/23/1123846323.db2.gz VFTALGJBYITDGT-UHFFFAOYSA-N -1 3 284.388 3.884 20 30 CHEDHM CC1(C)CCCC[C@H]1NN=Cc1c(F)ccc([O-])c1F ZINC000794538191 1123876498 /nfs/dbraw/zinc/87/64/98/1123876498.db2.gz ODEJBEOKJXSNOT-CYBMUJFWSA-N -1 3 282.334 3.563 20 30 CHEDHM C=C(C)C[C@H](Oc1ncc(Cl)cc1[O-])C(=C)C ZINC001227983663 1124093732 /nfs/dbraw/zinc/09/37/32/1124093732.db2.gz RAFTUGNAAIIOKM-LBPRGKRZSA-N -1 3 253.729 3.730 20 30 CHEDHM C=C(C)C[C@@H](Oc1ncc(Cl)cc1[O-])C(=C)C ZINC001227983661 1124094075 /nfs/dbraw/zinc/09/40/75/1124094075.db2.gz RAFTUGNAAIIOKM-GFCCVEGCSA-N -1 3 253.729 3.730 20 30 CHEDHM Cc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc([O-])c1F)C2 ZINC000794942048 1124094444 /nfs/dbraw/zinc/09/44/44/1124094444.db2.gz GSJMJHJQTPQVIM-FLIBITNWSA-N -1 3 286.277 3.801 20 30 CHEDHM O=C(CC1CCCCCC1)N([O-])Cc1ccc(F)cc1 ZINC001119615476 1131260124 /nfs/dbraw/zinc/26/01/24/1131260124.db2.gz LWNFIFPBNNQJHB-UHFFFAOYSA-N -1 3 279.355 3.904 20 30 CHEDHM C#CC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142118722 1124469853 /nfs/dbraw/zinc/46/98/53/1124469853.db2.gz XTFOLPUTORDPTA-UHFFFAOYSA-N -1 3 284.186 3.544 20 30 CHEDHM C=C[C@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228152341 1124517018 /nfs/dbraw/zinc/51/70/18/1124517018.db2.gz NAESLBZRUJZXBL-LBPRGKRZSA-N -1 3 268.312 3.577 20 30 CHEDHM Cc1nc(C(C)C)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001122728595 1131301944 /nfs/dbraw/zinc/30/19/44/1131301944.db2.gz BZMVVKSNCFPGBA-ZDUSSCGKSA-N -1 3 297.333 3.538 20 30 CHEDHM CCn1cccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC001122687526 1131302194 /nfs/dbraw/zinc/30/21/94/1131302194.db2.gz ZTEHGMWRLRDIOJ-NSHDSACASA-N -1 3 287.388 3.578 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC[C@H]2CC ZINC001123443845 1131314570 /nfs/dbraw/zinc/31/45/70/1131314570.db2.gz GHCMIAADXUOTHN-NXEZZACHSA-N -1 3 295.408 3.601 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(O)c1 ZINC000213220322 1125358910 /nfs/dbraw/zinc/35/89/10/1125358910.db2.gz WIHGUQPYBAUFPV-RILYUOAZSA-N -1 3 284.286 3.620 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(O)cc1 ZINC000213219439 1125359362 /nfs/dbraw/zinc/35/93/62/1125359362.db2.gz BVHYDKDULGTQBA-ZPBHHCQCSA-N -1 3 284.286 3.620 20 30 CHEDHM CCOc1cc(/C=C/C(=O)c2ccco2)cc(Cl)c1[O-] ZINC000130861245 1125369687 /nfs/dbraw/zinc/36/96/87/1125369687.db2.gz ZIWCGPHSFFJOSF-AATRIKPKSA-N -1 3 292.718 3.933 20 30 CHEDHM CC(=NNc1cc(F)c(F)cc1F)c1ccc([O-])c(F)c1 ZINC000734301593 1129300538 /nfs/dbraw/zinc/30/05/38/1129300538.db2.gz GYNQERYOQJLFPC-UHFFFAOYSA-N -1 3 298.239 3.785 20 30 CHEDHM N#CCc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593926 1129750391 /nfs/dbraw/zinc/75/03/91/1129750391.db2.gz LPXKKMWFKIMXHA-UHFFFAOYSA-N -1 3 258.708 3.855 20 30 CHEDHM [O-]/N=C1/CCc2cc(-c3ccc(F)c(F)c3)ccc21 ZINC001239585987 1131400247 /nfs/dbraw/zinc/40/02/47/1131400247.db2.gz NYOKTVAKOPEUMY-SDXDJHTJSA-N -1 3 259.255 3.756 20 30 CHEDHM O=C(Cc1ccsc1)N([O-])Cc1cccc2ccccc21 ZINC000900091855 1129863393 /nfs/dbraw/zinc/86/33/93/1129863393.db2.gz QDUKKNRYPWSYAV-UHFFFAOYSA-N -1 3 297.379 3.862 20 30 CHEDHM CCSCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000800720672 1129886431 /nfs/dbraw/zinc/88/64/31/1129886431.db2.gz FTSPEKQCJJSEJN-NTEUORMPSA-N -1 3 257.786 3.608 20 30 CHEDHM O=C(CCCC1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901371462 1129917505 /nfs/dbraw/zinc/91/75/05/1129917505.db2.gz CTBVPFHHIPQWAV-UHFFFAOYSA-N -1 3 279.355 3.904 20 30 CHEDHM O=C(C1CC2(C1)CCCCC2)N([O-])Cc1ccc(F)cc1 ZINC000901371662 1129917695 /nfs/dbraw/zinc/91/76/95/1129917695.db2.gz GVHSKFSZADNPRU-UHFFFAOYSA-N -1 3 291.366 3.904 20 30 CHEDHM CC[C@@H]1CCCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371794 1129917730 /nfs/dbraw/zinc/91/77/30/1129917730.db2.gz IHJNHYHNROXNNA-UKRRQHHQSA-N -1 3 279.355 3.760 20 30 CHEDHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372568 1129918306 /nfs/dbraw/zinc/91/83/06/1129918306.db2.gz HOEFDOLYNKSTNJ-GXTWGEPZSA-N -1 3 279.355 3.616 20 30 CHEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373007 1129918552 /nfs/dbraw/zinc/91/85/52/1129918552.db2.gz RASOMJCQHJWVEF-DLBZAZTESA-N -1 3 299.345 3.656 20 30 CHEDHM CC1(C)C[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379273 1129918736 /nfs/dbraw/zinc/91/87/36/1129918736.db2.gz YQYNJWQNNOJARH-LLVKDONJSA-N -1 3 288.174 3.757 20 30 CHEDHM CC(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001239639205 1130030244 /nfs/dbraw/zinc/03/02/44/1130030244.db2.gz WHYKSTOUQHFYMQ-RQZCQDPDSA-N -1 3 257.264 3.503 20 30 CHEDHM C[C@@H](NCC(C)(C)C#N)c1cc(Cl)c(Cl)cc1[O-] ZINC000903101789 1130111677 /nfs/dbraw/zinc/11/16/77/1130111677.db2.gz MHQXXNQQVRQNRC-MRVPVSSYSA-N -1 3 287.190 3.899 20 30 CHEDHM C[C@@H](NCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903106723 1130113848 /nfs/dbraw/zinc/11/38/48/1130113848.db2.gz UORNFXABMBTXNE-MRVPVSSYSA-N -1 3 285.174 3.653 20 30 CHEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(F)c1 ZINC001240034854 1130201309 /nfs/dbraw/zinc/20/13/09/1130201309.db2.gz IDUXMXQHXRJERL-VLGSPTGOSA-N -1 3 271.291 3.626 20 30 CHEDHM Cc1ccc2nc(/C=C\C(=O)c3ccc([O-])c(C)c3)cn2c1 ZINC000789144746 1130233662 /nfs/dbraw/zinc/23/36/62/1130233662.db2.gz XHAPUCFSHHUMDE-ALCCZGGFSA-N -1 3 292.338 3.553 20 30 CHEDHM CCCCCCCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000790566131 1130320110 /nfs/dbraw/zinc/32/01/10/1130320110.db2.gz AGKDKMRHXJHSAQ-UHFFFAOYSA-N -1 3 293.407 3.920 20 30 CHEDHM N#Cc1ccc(-c2cc(F)ccc2[O-])c2cc[nH]c21 ZINC001240698146 1130424703 /nfs/dbraw/zinc/42/47/03/1130424703.db2.gz IEPXPMKRGBOPLL-UHFFFAOYSA-N -1 3 252.248 3.551 20 30 CHEDHM C[Si](C)(C)C#Cc1cccnc1-c1ccccc1[O-] ZINC001241008613 1130563336 /nfs/dbraw/zinc/56/33/36/1130563336.db2.gz TWOBADOJJDSANR-UHFFFAOYSA-N -1 3 267.404 3.683 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCCc1nccs1 ZINC000811625025 1130624926 /nfs/dbraw/zinc/62/49/26/1130624926.db2.gz APRIPGNZEVNRII-DHDCSXOGSA-N -1 3 280.780 3.554 20 30 CHEDHM C#C[C@@H](CC(C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234262598 1130625240 /nfs/dbraw/zinc/62/52/40/1130625240.db2.gz AUELHIXLMPQQIA-VIFPVBQESA-N -1 3 256.704 3.611 20 30 CHEDHM COc1cc(F)cc(NN=C(C)c2ccc([O-])c(F)c2)c1 ZINC000759210066 1130644021 /nfs/dbraw/zinc/64/40/21/1130644021.db2.gz NGHKMNANKRFFCC-UHFFFAOYSA-N -1 3 292.285 3.515 20 30 CHEDHM COc1ccc(F)cc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000812241762 1130678580 /nfs/dbraw/zinc/67/85/80/1130678580.db2.gz MLZLJCINQWOXEV-QPJJXVBHSA-N -1 3 286.302 3.744 20 30 CHEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc3ccsc3[n-]2)O1 ZINC001234846932 1130680994 /nfs/dbraw/zinc/68/09/94/1130680994.db2.gz FAZBAPDSCLIYHL-XHDPSFHLSA-N -1 3 292.404 3.906 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2cccc(C3CCC3)c2)c1O ZINC000812445124 1130691284 /nfs/dbraw/zinc/69/12/84/1130691284.db2.gz RJBZAXYWJOQMKI-UHFFFAOYSA-N -1 3 283.327 3.822 20 30 CHEDHM CCc1ccnc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000797784656 1131002640 /nfs/dbraw/zinc/00/26/40/1131002640.db2.gz DGUDEBCBCSTPHH-RQZCQDPDSA-N -1 3 274.751 3.622 20 30 CHEDHM CCCCCCCC(=O)[N-]OCc1ccccc1OC ZINC000799093378 1131069324 /nfs/dbraw/zinc/06/93/24/1131069324.db2.gz PXNHWOBVEVDCAW-UHFFFAOYSA-N -1 3 279.380 3.604 20 30 CHEDHM COc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1F ZINC000799891595 1131113077 /nfs/dbraw/zinc/11/30/77/1131113077.db2.gz AFTJOKMIGJSPPL-TWGQIWQCSA-N -1 3 286.302 3.744 20 30 CHEDHM N#CCOc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001212609219 1131210633 /nfs/dbraw/zinc/21/06/33/1131210633.db2.gz BHZLUABOXOJTNM-UHFFFAOYSA-N -1 3 274.707 3.692 20 30 CHEDHM CCCCN(CCC#N)Cc1c([O-])cccc1Cl ZINC001140344328 1131704748 /nfs/dbraw/zinc/70/47/48/1131704748.db2.gz HXAFIVFEVIRFIK-UHFFFAOYSA-N -1 3 266.772 3.561 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000846544676 1131711912 /nfs/dbraw/zinc/71/19/12/1131711912.db2.gz RSQZPDULPLMMCP-VIFPVBQESA-N -1 3 288.174 3.548 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000846556132 1131713034 /nfs/dbraw/zinc/71/30/34/1131713034.db2.gz YEPHZCSFJNZNFL-MELADBBJSA-N -1 3 273.376 3.598 20 30 CHEDHM C=C(C)CO[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC000846535693 1131714187 /nfs/dbraw/zinc/71/41/87/1131714187.db2.gz KKGVSUMJZOOMCX-UHFFFAOYSA-N -1 3 291.416 3.573 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000846536053 1131714797 /nfs/dbraw/zinc/71/47/97/1131714797.db2.gz QNPULELGMDNUOP-HOTGVXAUSA-N -1 3 297.439 3.766 20 30 CHEDHM C[C@@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)[C@H](C)S ZINC001228346217 1131863347 /nfs/dbraw/zinc/86/33/47/1131863347.db2.gz AKWULIMOLCHLIL-ZJUUUORDSA-N -1 3 292.429 3.518 20 30 CHEDHM C=C[C@H](CC)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353337 1132056283 /nfs/dbraw/zinc/05/62/83/1132056283.db2.gz NTDLPIMPTHGZKN-MRVPVSSYSA-N -1 3 266.391 3.632 20 30 CHEDHM C/C(=N\[O-])c1ccccc1OC1CC(C)(C)OC(C)(C)C1 ZINC001229739104 1132112377 /nfs/dbraw/zinc/11/23/77/1132112377.db2.gz UWQORTHZESAQHK-LDADJPATSA-N -1 3 291.391 4.000 20 30 CHEDHM CCCCCCC[C@@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172349327 1132182071 /nfs/dbraw/zinc/18/20/71/1132182071.db2.gz AJDIDYBFNRPCRE-CQSZACIVSA-N -1 3 293.388 3.673 20 30 CHEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000840705557 1132272200 /nfs/dbraw/zinc/27/22/00/1132272200.db2.gz DZDNXMAWJHBBFV-VCHYOVAHSA-N -1 3 288.778 3.837 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCOC2(CCC2)C1 ZINC000840708161 1132273271 /nfs/dbraw/zinc/27/32/71/1132273271.db2.gz USEFJKXWBWSDFA-OTWJJXBCSA-N -1 3 293.794 3.814 20 30 CHEDHM N#CC1CC(Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231224110 1132274426 /nfs/dbraw/zinc/27/44/26/1132274426.db2.gz WHDUMGYGMWVFBI-UHFFFAOYSA-N -1 3 281.311 3.865 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)ccc1[O-] ZINC000840717579 1132276401 /nfs/dbraw/zinc/27/64/01/1132276401.db2.gz RXBCBRPTBZDNMU-ALCCZGGFSA-N -1 3 296.370 3.684 20 30 CHEDHM CC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000843265521 1132509805 /nfs/dbraw/zinc/50/98/05/1132509805.db2.gz WRNZHEABALTJND-UWONZBIMSA-N -1 3 297.782 3.585 20 30 CHEDHM CC[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000843265520 1132510031 /nfs/dbraw/zinc/51/00/31/1132510031.db2.gz WRNZHEABALTJND-CHROMADKSA-N -1 3 297.782 3.585 20 30 CHEDHM C=CC[C@@H](CCCC)Oc1ccc2occ([O-])c2c1 ZINC001233679286 1132663552 /nfs/dbraw/zinc/66/35/52/1132663552.db2.gz ARMLXPCFQAFFLV-LBPRGKRZSA-N -1 3 260.333 3.775 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccc(F)cc1 ZINC001233799388 1132680056 /nfs/dbraw/zinc/68/00/56/1132680056.db2.gz JCWBHBYKQPOEEZ-VDCVXVNISA-N -1 3 289.306 3.782 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2ccc(C)cc21 ZINC001233798879 1132680203 /nfs/dbraw/zinc/68/02/03/1132680203.db2.gz CIQRMPAWVZKBQV-YDDPGSGASA-N -1 3 297.354 3.878 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001233802000 1132681386 /nfs/dbraw/zinc/68/13/86/1132681386.db2.gz FUGGWUBUTNIOMF-PTFXBKRRSA-N -1 3 277.364 3.707 20 30 CHEDHM CC[C@H]1CCCC[C@@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233799977 1132681490 /nfs/dbraw/zinc/68/14/90/1132681490.db2.gz MIWHPQKWLLIEHE-MSUZTGCTSA-N -1 3 277.364 3.851 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1OC1CCCCCCC1 ZINC001233801969 1132681616 /nfs/dbraw/zinc/68/16/16/1132681616.db2.gz FHZCLCLWBJCDBS-SFQUDFHCSA-N -1 3 277.364 3.995 20 30 CHEDHM C=C[C@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001156170596 1132686239 /nfs/dbraw/zinc/68/62/39/1132686239.db2.gz QQADZUORBHOCIO-CYBMUJFWSA-N -1 3 299.345 3.507 20 30 CHEDHM CC(C)Oc1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174113394 1132729477 /nfs/dbraw/zinc/72/94/77/1132729477.db2.gz FAEMCDDIDZWHGS-UHFFFAOYSA-N -1 3 268.316 3.795 20 30 CHEDHM CCCCCCN([O-])C(=O)c1csc(-c2ccoc2)n1 ZINC001161826598 1133032665 /nfs/dbraw/zinc/03/26/65/1133032665.db2.gz HCAZLWSGINJILN-UHFFFAOYSA-N -1 3 294.376 3.815 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC001164450606 1133219687 /nfs/dbraw/zinc/21/96/87/1133219687.db2.gz APJRPUWQPMDUFT-UHFFFAOYSA-N -1 3 299.823 3.836 20 30 CHEDHM Cc1nc(-c2ccc([O-])cc2C(F)(F)F)ccc1C#N ZINC001205073470 1133524246 /nfs/dbraw/zinc/52/42/46/1133524246.db2.gz NVIJSHMWLWUABG-UHFFFAOYSA-N -1 3 278.233 3.653 20 30 CHEDHM CC(=O)[C@@H](C)O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205232567 1133547229 /nfs/dbraw/zinc/54/72/29/1133547229.db2.gz JYPLQMKTMUAQTP-DTLHYBNHSA-N -1 3 297.354 3.600 20 30 CHEDHM N#Cc1cc(-c2ccc([O-])cc2F)nc2ccccc12 ZINC001206037146 1133646478 /nfs/dbraw/zinc/64/64/78/1133646478.db2.gz DQBKTMBGUMXLQS-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM N#Cc1cc(F)ccc1Nc1cc(-c2ccccc2[O-])no1 ZINC001210550523 1134246070 /nfs/dbraw/zinc/24/60/70/1134246070.db2.gz IXPRJSFPCNUOGB-UHFFFAOYSA-N -1 3 295.273 3.802 20 30 CHEDHM C[C@@H]1CC(=O)C=C(Nc2cc(Cl)c([O-])cc2Cl)C1 ZINC001210777075 1134294264 /nfs/dbraw/zinc/29/42/64/1134294264.db2.gz UVKBFGVKESJHSC-ZETCQYMHSA-N -1 3 286.158 3.994 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cc(O)cc(C(F)(F)F)c2)c1 ZINC001210828837 1134306769 /nfs/dbraw/zinc/30/67/69/1134306769.db2.gz XHRVECNJQIZKDH-UHFFFAOYSA-N -1 3 294.232 3.732 20 30 CHEDHM N#Cc1ccc(Nc2ccc(F)c([O-])c2)c(F)c1Cl ZINC001211220276 1134395598 /nfs/dbraw/zinc/39/55/98/1134395598.db2.gz BFXUQCTXAMOPJO-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#CC1(c2cccc(Nc3c(F)cc([O-])cc3F)c2)CC1 ZINC001213326691 1134441475 /nfs/dbraw/zinc/44/14/75/1134441475.db2.gz CTPNPSPUHUAUHN-UHFFFAOYSA-N -1 3 286.281 3.969 20 30 CHEDHM N#Cc1cc(Nc2ccc(Cl)cc2[O-])cc(F)c1F ZINC001214411841 1134536966 /nfs/dbraw/zinc/53/69/66/1134536966.db2.gz PXQALWWTWUVVNM-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1csc(Nc2cc(F)c([O-])cc2F)c1C#N ZINC001215570890 1134645068 /nfs/dbraw/zinc/64/50/68/1134645068.db2.gz ZTVZXUWHJKEUJH-UHFFFAOYSA-N -1 3 266.272 3.656 20 30 CHEDHM Cc1cc(C#N)cc(C)c1Nc1cc(F)c(F)cc1[O-] ZINC001215646740 1134656215 /nfs/dbraw/zinc/65/62/15/1134656215.db2.gz FCIKCJXNNAUCQZ-UHFFFAOYSA-N -1 3 274.270 3.903 20 30 CHEDHM Cc1cc(Nc2ccc(C#N)c(C#N)c2)cc(Cl)c1[O-] ZINC001216088268 1134773380 /nfs/dbraw/zinc/77/33/80/1134773380.db2.gz QWMCVRADKPSWJZ-UHFFFAOYSA-N -1 3 283.718 3.841 20 30 CHEDHM N#Cc1c(Cl)cccc1Nc1cc(F)c(F)cc1[O-] ZINC001216128233 1134787178 /nfs/dbraw/zinc/78/71/78/1134787178.db2.gz LWJAIJDJBZCDTJ-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CNc1ccc(C#N)cc1Nc1cc(Cl)ccc1[O-] ZINC001216403641 1134884550 /nfs/dbraw/zinc/88/45/50/1134884550.db2.gz SVNMARZSIKBATI-UHFFFAOYSA-N -1 3 273.723 3.703 20 30 CHEDHM CCOc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(C)n1 ZINC001222116474 1135194638 /nfs/dbraw/zinc/19/46/38/1135194638.db2.gz JWCSQYJPPCXGQD-MNDPQUGUSA-N -1 3 282.343 3.580 20 30 CHEDHM [O-]/N=C(\O[C@@H]1CCc2cc(Cl)ccc21)c1ccccn1 ZINC001223976659 1135404908 /nfs/dbraw/zinc/40/49/08/1135404908.db2.gz XEKJQWKEMUNEHK-QFVIEVDGSA-N -1 3 288.734 3.575 20 30 CHEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1csc(Cl)c1 ZINC001223978063 1135404949 /nfs/dbraw/zinc/40/49/49/1135404949.db2.gz PDCOENFJRAMRDJ-MFDJHEEKSA-N -1 3 282.752 3.710 20 30 CHEDHM C=C[C@@H](CCC)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225853931 1135630200 /nfs/dbraw/zinc/63/02/00/1135630200.db2.gz TYBZAPJZJZVOJT-ZETCQYMHSA-N -1 3 278.299 3.518 20 30 CHEDHM COc1cccc([C@@H](C)Oc2cccc(/C=N/[O-])c2)c1 ZINC001226113828 1135664356 /nfs/dbraw/zinc/66/43/56/1135664356.db2.gz ALTXMNNNARRESL-PBSOMRJOSA-N -1 3 271.316 3.643 20 30 CHEDHM C=CCC[C@@H](CC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600060 1135718199 /nfs/dbraw/zinc/71/81/99/1135718199.db2.gz SNHPCYUPTDASJT-GFCCVEGCSA-N -1 3 274.316 3.622 20 30 CHEDHM N#C[C@H](Oc1cccc([O-])c1Cl)c1cccc(F)c1 ZINC001226710074 1135732727 /nfs/dbraw/zinc/73/27/27/1135732727.db2.gz VJBWYJKBDCEOMM-ZDUSSCGKSA-N -1 3 277.682 3.828 20 30 CHEDHM Cc1ccccc1[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227349532 1135823903 /nfs/dbraw/zinc/82/39/03/1135823903.db2.gz HJEMZJGLGBBFPP-LBPRGKRZSA-N -1 3 253.301 3.712 20 30 CHEDHM COc1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])c(F)c1 ZINC001227350984 1135824707 /nfs/dbraw/zinc/82/47/07/1135824707.db2.gz RKSIGNJVPMIVKP-SNVBAGLBSA-N -1 3 287.290 3.552 20 30 CHEDHM C=C[C@]1(C)CC[C@H](Oc2cc(C#N)ccc2[O-])C(C)(C)O1 ZINC001227351885 1135825142 /nfs/dbraw/zinc/82/51/42/1135825142.db2.gz ZZAHBYRVTBULIU-DOTOQJQBSA-N -1 3 287.359 3.545 20 30 CHEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccc(F)c(F)c1 ZINC001227351238 1135825202 /nfs/dbraw/zinc/82/52/02/1135825202.db2.gz SXJHCRHXAWRPTM-VIFPVBQESA-N -1 3 275.254 3.682 20 30 CHEDHM Cc1cccc([C@H](C)Oc2cc(C#N)ccc2[O-])c1 ZINC001227351033 1135825428 /nfs/dbraw/zinc/82/54/28/1135825428.db2.gz RZTMXZLYYUMPHQ-LBPRGKRZSA-N -1 3 253.301 3.712 20 30 CHEDHM C=C[C@H](CCC)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227587579 1135848324 /nfs/dbraw/zinc/84/83/24/1135848324.db2.gz UOMZPZLWUQVOFB-SECBINFHSA-N -1 3 261.243 3.540 20 30 CHEDHM [O-]c1ccccc1/C=N/[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000154234277 261089315 /nfs/dbraw/zinc/08/93/15/261089315.db2.gz VQHJXYNTPSJJGW-STBIIMGESA-N -1 3 281.355 3.731 20 30 CHEDHM C[C@H](/N=C/c1ccccc1[O-])[C@H]1OCCc2sccc21 ZINC000292192138 263129378 /nfs/dbraw/zinc/12/93/78/263129378.db2.gz ZBQZGRQRHGYYPY-NIDOIIGTSA-N -1 3 287.384 3.575 20 30 CHEDHM CC(C)(C)c1ccc(NC(=O)[C@@H]2C[C@@]23CCOC3)c([O-])c1 ZINC000328641772 263830639 /nfs/dbraw/zinc/83/06/39/263830639.db2.gz DKJHZUSNKJKSMV-YVEFUNNKSA-N -1 3 289.375 3.704 20 30 CHEDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1 ZINC000331235449 264174361 /nfs/dbraw/zinc/17/43/61/264174361.db2.gz LKHAFDDVNBQAPP-KGLIPLIRSA-N -1 3 291.391 3.599 20 30 CHEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1[O-] ZINC000331309268 264186586 /nfs/dbraw/zinc/18/65/86/264186586.db2.gz BNINSPNZXFEFMO-FIXISWKDSA-N -1 3 289.375 3.724 20 30 CHEDHM N#Cc1cnccc1/C=C\c1cc([O-])cc(C(F)(F)F)c1 ZINC000357083298 266244103 /nfs/dbraw/zinc/24/41/03/266244103.db2.gz YFPZNUOTJUXIOP-UPHRSURJSA-N -1 3 290.244 3.848 20 30 CHEDHM C=CC[C@@H]1N(C(=O)c2cccc([O-])c2)CCCC1(C)C ZINC000444645167 330816376 /nfs/dbraw/zinc/81/63/76/330816376.db2.gz OUVCICLMSZNECS-HNNXBMFYSA-N -1 3 273.376 3.599 20 30 CHEDHM C=CC(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000450092273 330961111 /nfs/dbraw/zinc/96/11/11/330961111.db2.gz WLAMRZMDCRDDDP-UHFFFAOYSA-N -1 3 273.254 3.562 20 30 CHEDHM C=CCCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469826415 331462110 /nfs/dbraw/zinc/46/21/10/331462110.db2.gz ZQKBRVCALRPYGO-CYBMUJFWSA-N -1 3 293.382 3.715 20 30 CHEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000488703588 332022097 /nfs/dbraw/zinc/02/20/97/332022097.db2.gz QHJXYUHANBSJGB-LBPRGKRZSA-N -1 3 299.399 3.744 20 30 CHEDHM C=C[C@H](CC(=O)Nc1c(C)cccc1[O-])c1ccccc1 ZINC000183043548 333118626 /nfs/dbraw/zinc/11/86/26/333118626.db2.gz HDGPRFDOLARTLA-CQSZACIVSA-N -1 3 281.355 3.999 20 30 CHEDHM C=C[C@@H](CC(=O)Nc1c(C)cccc1[O-])c1ccccc1 ZINC000183043564 333118641 /nfs/dbraw/zinc/11/86/41/333118641.db2.gz HDGPRFDOLARTLA-AWEZNQCLSA-N -1 3 281.355 3.999 20 30 CHEDHM N#CCC[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000185604459 333144550 /nfs/dbraw/zinc/14/45/50/333144550.db2.gz KURMWFUYBNDTRR-QGZVFWFLSA-N -1 3 284.334 3.666 20 30 CHEDHM C=CCC[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000564301207 334021999 /nfs/dbraw/zinc/02/19/99/334021999.db2.gz IPKRASWEZXTUMQ-HNNXBMFYSA-N -1 3 268.360 3.584 20 30 CHEDHM CCSc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000153264185 334578584 /nfs/dbraw/zinc/57/85/84/334578584.db2.gz LDKUQWCWZZCNEC-CQSZACIVSA-N -1 3 282.368 3.684 20 30 CHEDHM CC1(C)C[C@H](NC(=O)c2csc(=O)[n-]2)c2ccccc21 ZINC000329973576 527725407 /nfs/dbraw/zinc/72/54/07/527725407.db2.gz ZQCHQQFRJKGBTO-NSHDSACASA-N -1 3 288.372 3.576 20 30 CHEDHM C=C(CC)CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833371345 605399049 /nfs/dbraw/zinc/39/90/49/605399049.db2.gz ZNUZFHMUKRIBFL-GFCCVEGCSA-N -1 3 288.174 3.675 20 30 CHEDHM C=C(CC)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001573294777 946997774 /nfs/dbraw/zinc/99/77/74/946997774.db2.gz KWGBVUWTEDEZIF-UHFFFAOYSA-N -1 3 280.784 3.578 20 30 CHEDHM C=C(CC)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001573294777 946997779 /nfs/dbraw/zinc/99/77/79/946997779.db2.gz KWGBVUWTEDEZIF-UHFFFAOYSA-N -1 3 280.784 3.578 20 30 CHEDHM C[C@@H]1CCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000729641858 1125482686 /nfs/dbraw/zinc/48/26/86/1125482686.db2.gz ZWRUUQLCCDEDGY-FKTXRZKZSA-N -1 3 282.181 3.762 20 30 CHEDHM C=C[C@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227983979 1131781686 /nfs/dbraw/zinc/78/16/86/1131781686.db2.gz YAVGPAUURPDSDU-ZDUSSCGKSA-N -1 3 261.708 3.747 20 30 CHEDHM CCCCCCCC[C@@H](CC)Nc1cnc(C)[n-]c1=O ZINC001172503558 1132252964 /nfs/dbraw/zinc/25/29/64/1132252964.db2.gz RVZMNRCOSLVRCV-HUUCEWRRSA-N -1 3 279.428 3.503 20 30 CHEDHM COc1cc(C(=O)/C=C/c2c(F)cccc2F)ccc1[O-] ZINC000008322738 1125694585 /nfs/dbraw/zinc/69/45/85/1125694585.db2.gz GVUBAYIFSQHUHZ-SOFGYWHQSA-N -1 3 290.265 3.575 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CC=CCC1 ZINC000735978708 1129361112 /nfs/dbraw/zinc/36/11/12/1129361112.db2.gz JUVAYBGCNZCJKZ-KMHUVPDISA-N -1 3 280.165 3.682 20 30 CHEDHM Cc1occc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000899895267 1126709346 /nfs/dbraw/zinc/70/93/46/1126709346.db2.gz OFKGDQTUMXRCFO-UHFFFAOYSA-N -1 3 281.311 3.773 20 30 CHEDHM O=C(CCC(F)(F)F)N([O-])CCCCc1ccccc1 ZINC000904196967 1126838171 /nfs/dbraw/zinc/83/81/71/1126838171.db2.gz MCKSQKLUBDYINX-UHFFFAOYSA-N -1 3 289.297 3.570 20 30 CHEDHM Cc1nc(C)c(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)o1 ZINC000905070714 1126890012 /nfs/dbraw/zinc/89/00/12/1126890012.db2.gz MOJNTFURYNCBDE-VSUWBIFXSA-N -1 3 287.290 3.520 20 30 CHEDHM C[C@@H]1CC(=NOCCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000777462465 1126942146 /nfs/dbraw/zinc/94/21/46/1126942146.db2.gz BRIODRXNQICDIZ-SSDOTTSWSA-N -1 3 291.244 3.712 20 30 CHEDHM N#CC(=C([O-])c1ccc(C2=CCCC2)cc1)c1ccncn1 ZINC000355211687 1127325101 /nfs/dbraw/zinc/32/51/01/1127325101.db2.gz ZEMNQHFBUPWCMY-MRXNPFEDSA-N -1 3 289.338 3.534 20 30 CHEDHM N#CC(=C([O-])c1ccc(C2=CCCC2)cc1)c1ccncn1 ZINC000355211683 1127325433 /nfs/dbraw/zinc/32/54/33/1127325433.db2.gz ZEMNQHFBUPWCMY-INIZCTEOSA-N -1 3 289.338 3.534 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccsc1 ZINC000915980572 1128400032 /nfs/dbraw/zinc/40/00/32/1128400032.db2.gz USPWGQBVLWSAHN-VGOFMYFVSA-N -1 3 296.189 3.835 20 30 CHEDHM CC1(C)CCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901372287 1128675014 /nfs/dbraw/zinc/67/50/14/1128675014.db2.gz WBUUXCPBLGOZAD-ZDUSSCGKSA-N -1 3 279.355 3.760 20 30 CHEDHM Cc1cc(Cl)nc(Nc2ccc(F)cc2[O-])c1C#N ZINC001210016482 1118132055 /nfs/dbraw/zinc/13/20/55/1118132055.db2.gz LNCNSOAVUVZRAC-UHFFFAOYSA-N -1 3 277.686 3.503 20 30 CHEDHM C[C@@H]1CCC[C@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC001649046039 1118266871 /nfs/dbraw/zinc/26/68/71/1118266871.db2.gz JFYHVHMSZGDALQ-NEPJUHHUSA-N -1 3 281.783 3.884 20 30 CHEDHM Cc1cc(C#N)cc(Nc2ccc(Cl)cc2[O-])c1 ZINC001210390329 1118269848 /nfs/dbraw/zinc/26/98/48/1118269848.db2.gz QZJMPBKFRRNFKU-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM O=C([C@@H]1CCCC12CC2)N([O-])CCCCc1ccccc1 ZINC001649052000 1118273630 /nfs/dbraw/zinc/27/36/30/1118273630.db2.gz OKSHXENUHVYJGE-INIZCTEOSA-N -1 3 287.403 3.807 20 30 CHEDHM CC[C@@H](C)[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051911 1118274352 /nfs/dbraw/zinc/27/43/52/1118274352.db2.gz LAWJIDNPXLZJMI-CABCVRRESA-N -1 3 277.408 3.909 20 30 CHEDHM CC[C@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC001649052046 1118275254 /nfs/dbraw/zinc/27/52/54/1118275254.db2.gz QVNPNIXTZGYYOY-AWEZNQCLSA-N -1 3 263.381 3.663 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCc1ccccc1 ZINC000255132071 1118282084 /nfs/dbraw/zinc/28/20/84/1118282084.db2.gz IJVUPBJFZMNJMM-WQRHYEAKSA-N -1 3 289.762 3.681 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](C)c1cccc(C)c1 ZINC001649056688 1118283391 /nfs/dbraw/zinc/28/33/91/1118283391.db2.gz GLPIAZRYPSXAFV-CQSZACIVSA-N -1 3 263.381 3.897 20 30 CHEDHM C#CCCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001649070171 1118312043 /nfs/dbraw/zinc/31/20/43/1118312043.db2.gz UNEPBZAGHCWYPL-UHFFFAOYSA-N -1 3 281.355 3.751 20 30 CHEDHM O=C(Cc1coc2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC001649075660 1118319721 /nfs/dbraw/zinc/31/97/21/1118319721.db2.gz ANNCAFSYMUKGJC-UHFFFAOYSA-N -1 3 299.301 3.532 20 30 CHEDHM Cc1ccc(NC2=CC(=O)C[C@@H](C)C2)c(Cl)c1[O-] ZINC001210772740 1118380918 /nfs/dbraw/zinc/38/09/18/1118380918.db2.gz LHYDBSIXERHSDE-QMMMGPOBSA-N -1 3 265.740 3.649 20 30 CHEDHM CCc1cc(C#N)ccc1Nc1ccc(F)c([O-])c1 ZINC001211217507 1118480850 /nfs/dbraw/zinc/48/08/50/1118480850.db2.gz STFRPPKLACYNJR-UHFFFAOYSA-N -1 3 256.280 3.709 20 30 CHEDHM N#Cc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000255387449 1118740473 /nfs/dbraw/zinc/74/04/73/1118740473.db2.gz HSWXMDVLRCLSDT-UHFFFAOYSA-N -1 3 274.682 3.807 20 30 CHEDHM C=CCC1(C(=O)Nc2cccc([O-])c2F)CCCCC1 ZINC000649337618 1128803803 /nfs/dbraw/zinc/80/38/03/1128803803.db2.gz RTQNEANUPVHUOX-UHFFFAOYSA-N -1 3 277.339 3.996 20 30 CHEDHM C=C[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000356063470 1120293185 /nfs/dbraw/zinc/29/31/85/1120293185.db2.gz VAHFMCGYFLGJON-OAHLLOKOSA-N -1 3 281.355 3.726 20 30 CHEDHM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)c1ccccn1 ZINC000070032737 1128932091 /nfs/dbraw/zinc/93/20/91/1128932091.db2.gz JDCGTJUFCOCBER-LBPRGKRZSA-N -1 3 299.399 3.535 20 30 CHEDHM N#Cc1cc(Nc2cccc([O-])c2F)ccc1N1CCCC1 ZINC001212551587 1121288741 /nfs/dbraw/zinc/28/87/41/1121288741.db2.gz ZJBPVQGAABRDOJ-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM Cc1cc(C)c(Nc2cccc([O-])c2F)cc1C#N ZINC001212553883 1121292766 /nfs/dbraw/zinc/29/27/66/1121292766.db2.gz ADCDFLPORNKFBH-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM N#Cc1ccc(Cl)c(Nc2ccc([O-])cc2F)c1 ZINC001176414623 1121628259 /nfs/dbraw/zinc/62/82/59/1121628259.db2.gz ZCUWVMROMYOZKH-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CC(=NNc1cccc2ncccc21)c1ccc([O-])cc1F ZINC000729932432 1121785358 /nfs/dbraw/zinc/78/53/58/1121785358.db2.gz KWPOKJDHNCYZNL-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM CCC(CC)CN(CCC#N)Cc1ccc(F)c(F)c1[O-] ZINC001180031086 1121939932 /nfs/dbraw/zinc/93/99/32/1121939932.db2.gz UTAMCQCKUGOQIQ-UHFFFAOYSA-N -1 3 296.361 3.822 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)c(F)c(C)c2)n1 ZINC000153121073 1129022596 /nfs/dbraw/zinc/02/25/96/1129022596.db2.gz MRQCSSBTISKRKE-GFCCVEGCSA-N -1 3 288.347 3.698 20 30 CHEDHM CC(=NOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000774603398 1122212415 /nfs/dbraw/zinc/21/24/15/1122212415.db2.gz RLVJWRJQQYSMAD-UHFFFAOYSA-N -1 3 253.729 3.729 20 30 CHEDHM CCCCN([O-])C(=O)c1coc(-c2ccccc2Cl)n1 ZINC001184314593 1122266537 /nfs/dbraw/zinc/26/65/37/1122266537.db2.gz BKWMFIKOXSMQSD-UHFFFAOYSA-N -1 3 294.738 3.627 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1c[nH]c2ccccc12 ZINC001184305547 1122266735 /nfs/dbraw/zinc/26/67/35/1122266735.db2.gz LLMWZTKUALTKEW-UHFFFAOYSA-N -1 3 274.364 3.509 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1coc2cc(F)ccc12 ZINC001184305834 1122266764 /nfs/dbraw/zinc/26/67/64/1122266764.db2.gz SVPVCWOJQUEYMW-UHFFFAOYSA-N -1 3 293.338 3.913 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](C)Cc1ccccc1Cl ZINC001184314600 1122266959 /nfs/dbraw/zinc/26/69/59/1122266959.db2.gz BSDQVQZMEANBPU-LLVKDONJSA-N -1 3 269.772 3.537 20 30 CHEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1cccs1 ZINC001184283755 1122269655 /nfs/dbraw/zinc/26/96/55/1122269655.db2.gz PJJGCTWDSDFLGO-SNVBAGLBSA-N -1 3 295.791 3.923 20 30 CHEDHM [O-]c1ccc(Cl)cc1C=Nc1nc2cc(F)ccc2[nH]1 ZINC000775229778 1122494121 /nfs/dbraw/zinc/49/41/21/1122494121.db2.gz DCEBLARSYYTZQQ-UHFFFAOYSA-N -1 3 289.697 3.812 20 30 CHEDHM CCc1cccc(CC)c1NC(=O)[N-]c1onc(C)c1C#N ZINC001189738449 1122512832 /nfs/dbraw/zinc/51/28/32/1122512832.db2.gz IKAJTDRNTKMNHZ-UHFFFAOYSA-N -1 3 298.346 3.624 20 30 CHEDHM N#CC(=C([O-])C=CSc1ccccc1)c1ccccn1 ZINC000193388105 1129073806 /nfs/dbraw/zinc/07/38/06/1129073806.db2.gz XAMJAAMOHDTVIC-MARXPDLDSA-N -1 3 280.352 3.564 20 30 CHEDHM N#Cc1cc(Cl)c(Cl)cc1Nc1cncc([O-])c1 ZINC001201650034 1123135880 /nfs/dbraw/zinc/13/58/80/1123135880.db2.gz ZTTSSYNKNPDGKD-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM N#C[C@H](OC(=O)c1cccc(Cl)c1[O-])C1CCCCC1 ZINC000776398954 1123226690 /nfs/dbraw/zinc/22/66/90/1123226690.db2.gz FUVPHCBHSFHRSJ-ZDUSSCGKSA-N -1 3 293.750 3.675 20 30 CHEDHM C=C[C@](C)(CC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000443060944 1123353053 /nfs/dbraw/zinc/35/30/53/1123353053.db2.gz QGXNAWMWLHRUQN-CYBMUJFWSA-N -1 3 287.281 3.952 20 30 CHEDHM C[C@@H]1CCCCN1N=Cc1ccc2ccccc2c1[O-] ZINC000853381750 1123437866 /nfs/dbraw/zinc/43/78/66/1123437866.db2.gz KRZAKEWAMSPGRC-CYBMUJFWSA-N -1 3 268.360 3.754 20 30 CHEDHM C=CCCO[N-]C(=O)CCCc1csc2ccccc12 ZINC000856032779 1123544906 /nfs/dbraw/zinc/54/49/06/1123544906.db2.gz QHSYMYJLOUUEHS-UHFFFAOYSA-N -1 3 289.400 3.848 20 30 CHEDHM [O-]c1ccc(F)c(C=NNc2cccc(Cl)c2)c1F ZINC000794454231 1123834119 /nfs/dbraw/zinc/83/41/19/1123834119.db2.gz DBOFNJMWUIMOOG-UHFFFAOYSA-N -1 3 282.677 3.770 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(F)cc1F ZINC000794934711 1124084820 /nfs/dbraw/zinc/08/48/20/1124084820.db2.gz UPDNHWNKVQJWPZ-HYXAFXHYSA-N -1 3 296.219 3.845 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccsc1 ZINC000794935796 1124092577 /nfs/dbraw/zinc/09/25/77/1124092577.db2.gz UREBFGQSGYDHPY-IWQZZHSRSA-N -1 3 266.268 3.628 20 30 CHEDHM Cc1ccc2c(c1)C/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794935760 1124093190 /nfs/dbraw/zinc/09/31/90/1124093190.db2.gz UCCQYVFRTQRFIS-DHZHZOJOSA-N -1 3 286.277 3.801 20 30 CHEDHM CC1(C)CCC/C(=C/c2c(F)ccc([O-])c2F)C1=O ZINC000794940877 1124093980 /nfs/dbraw/zinc/09/39/80/1124093980.db2.gz DNPIUIPQENZVKK-HJWRWDBZSA-N -1 3 266.287 3.833 20 30 CHEDHM CCc1cnccc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794945313 1124094415 /nfs/dbraw/zinc/09/44/15/1124094415.db2.gz IAWYYPRHRYIZDC-HYXAFXHYSA-N -1 3 289.281 3.524 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccnc(Cl)c1 ZINC000794946075 1124095495 /nfs/dbraw/zinc/09/54/95/1124095495.db2.gz MUUVTXSJOWOSLU-IWQZZHSRSA-N -1 3 295.672 3.615 20 30 CHEDHM C=CCC1(C(=O)[N-]OCCCC(F)(F)F)CCCC1 ZINC000871217286 1124604226 /nfs/dbraw/zinc/60/42/26/1124604226.db2.gz RIZJUHWRIFMEKB-UHFFFAOYSA-N -1 3 279.302 3.513 20 30 CHEDHM C=C[C@@H](CC)CC(=O)Nc1c([O-])cccc1Cl ZINC000820559782 1131293852 /nfs/dbraw/zinc/29/38/52/1131293852.db2.gz ZARGNPQEAYKMQH-VIFPVBQESA-N -1 3 253.729 3.586 20 30 CHEDHM CCOc1ccc(C)cc1-c1ccccc1C=N[O-] ZINC001241149436 1129467151 /nfs/dbraw/zinc/46/71/51/1129467151.db2.gz VLCMJZIQTIAMJY-UHFFFAOYSA-N -1 3 255.317 3.869 20 30 CHEDHM N#CC1(c2cccc(-c3cc([O-])cc(F)c3)c2)CC1 ZINC001241272661 1129505963 /nfs/dbraw/zinc/50/59/63/1129505963.db2.gz VFTFJSDRKXXJHW-UHFFFAOYSA-N -1 3 253.276 3.753 20 30 CHEDHM CC(C)[C@@H](C#N)c1ccc(NCc2ncccc2[O-])cc1 ZINC001169731896 1129753579 /nfs/dbraw/zinc/75/35/79/1129753579.db2.gz IQBBJRPRZQWRNA-OAHLLOKOSA-N -1 3 281.359 3.662 20 30 CHEDHM CC(C)(C#N)c1ccccc1COC(=O)c1ccc([O-])cc1 ZINC000767982846 1129823959 /nfs/dbraw/zinc/82/39/59/1129823959.db2.gz NLBLHTROPFWRAZ-UHFFFAOYSA-N -1 3 295.338 3.550 20 30 CHEDHM Cc1ncsc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091549 1129863242 /nfs/dbraw/zinc/86/32/42/1129863242.db2.gz AUJZNOMXNXOVGC-UHFFFAOYSA-N -1 3 298.367 3.636 20 30 CHEDHM CC(C)=C[C@H]1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1(C)C ZINC000900096222 1129864254 /nfs/dbraw/zinc/86/42/54/1129864254.db2.gz WGNRDZIAGSNZMM-GJZGRUSLSA-N -1 3 291.366 3.782 20 30 CHEDHM CC[C@H]1CCCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371792 1129917170 /nfs/dbraw/zinc/91/71/70/1129917170.db2.gz IHJNHYHNROXNNA-DZGCQCFKSA-N -1 3 279.355 3.760 20 30 CHEDHM CCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367467 1129917243 /nfs/dbraw/zinc/91/72/43/1129917243.db2.gz HHOSOUJNYLUXRO-UHFFFAOYSA-N -1 3 257.333 3.748 20 30 CHEDHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N([O-])Cc1cccc2ccccc21 ZINC000901370051 1129917612 /nfs/dbraw/zinc/91/76/12/1129917612.db2.gz POWBUERZVMWVEX-FVQHAEBGSA-N -1 3 281.355 3.604 20 30 CHEDHM O=C(C1CCC2(CC2)CC1)N([O-])Cc1ccc(F)cc1 ZINC000901371434 1129917643 /nfs/dbraw/zinc/91/76/43/1129917643.db2.gz BUTUQYQUGNKGKV-UHFFFAOYSA-N -1 3 277.339 3.514 20 30 CHEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1Cl ZINC000901375708 1129918201 /nfs/dbraw/zinc/91/82/01/1129918201.db2.gz KTPSQGHYHIGKRH-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372560 1129918331 /nfs/dbraw/zinc/91/83/31/1129918331.db2.gz HAPYASHSFSCLMN-DLBZAZTESA-N -1 3 299.345 3.656 20 30 CHEDHM CC(C)(C#N)CCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786132584 1130081199 /nfs/dbraw/zinc/08/11/99/1130081199.db2.gz VRXOVHHQXNRJGJ-UHFFFAOYSA-N -1 3 289.356 3.704 20 30 CHEDHM C=CCN(Cc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001462103205 1130193636 /nfs/dbraw/zinc/19/36/36/1130193636.db2.gz JMWCORCIKWYZSQ-UHFFFAOYSA-N -1 3 275.298 3.863 20 30 CHEDHM [O-]/N=C/c1cccc(-c2cc(F)cc3[nH]ccc32)c1 ZINC001240037961 1130202768 /nfs/dbraw/zinc/20/27/68/1130202768.db2.gz JNISEIPALOOFRQ-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM N#CC(=C([O-])C1=CCCC1)c1nccc2ccccc21 ZINC000792096722 1130431385 /nfs/dbraw/zinc/43/13/85/1130431385.db2.gz QFHDUPJILCYDRK-HNNXBMFYSA-N -1 3 262.312 3.521 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098889 1130431398 /nfs/dbraw/zinc/43/13/98/1130431398.db2.gz FONINPIOPRDPQI-WAVCKPEOSA-N -1 3 288.306 3.717 20 30 CHEDHM C=C(C)CN(CC)Cc1c([O-])ccc(Cl)c1F ZINC000792156805 1130432791 /nfs/dbraw/zinc/43/27/91/1130432791.db2.gz NRPXJRNTAJDFJZ-UHFFFAOYSA-N -1 3 257.736 3.583 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cccc3[nH]ccc32)cc1F ZINC001240712692 1130432805 /nfs/dbraw/zinc/43/28/05/1130432805.db2.gz QGSCUYFTNUQBFQ-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM CC1(C)CC(Nc2cccc(/C=N/[O-])c2)CC(C)(C)O1 ZINC001170361283 1130484284 /nfs/dbraw/zinc/48/42/84/1130484284.db2.gz JNBMAQBFDHSKFW-GZTJUZNOSA-N -1 3 276.380 3.643 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2cccc3cccnc32)c1 ZINC001240896240 1130507560 /nfs/dbraw/zinc/50/75/60/1130507560.db2.gz SDVCXXQVFZGXQO-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM N#CC1(c2cccc(-c3cccc([O-])c3F)c2)CC1 ZINC001243545809 1130536231 /nfs/dbraw/zinc/53/62/31/1130536231.db2.gz BWLBNFLSVALAKM-UHFFFAOYSA-N -1 3 253.276 3.753 20 30 CHEDHM Cc1cccc2c1CC[C@@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234138553 1130610931 /nfs/dbraw/zinc/61/09/31/1130610931.db2.gz ANCQLIUITJPYLX-KRWDZBQOSA-N -1 3 265.312 3.639 20 30 CHEDHM C[C@@H](C#C[Si](C)(C)C)Oc1c([O-])cc(Cl)cc1F ZINC001234445481 1130645059 /nfs/dbraw/zinc/64/50/59/1130645059.db2.gz ZRQMZLAVZREIRC-VIFPVBQESA-N -1 3 286.806 3.833 20 30 CHEDHM CCCn1nc(C)c(/C=C/C(=O)c2ccc([O-])c(C)c2)c1C ZINC000759653973 1130667119 /nfs/dbraw/zinc/66/71/19/1130667119.db2.gz YEMNJGABSFVPKD-VQHVLOKHSA-N -1 3 298.386 3.820 20 30 CHEDHM COc1ccc(F)cc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000812241760 1130678822 /nfs/dbraw/zinc/67/88/22/1130678822.db2.gz MLZLJCINQWOXEV-DAXSKMNVSA-N -1 3 286.302 3.744 20 30 CHEDHM N#CC1(c2ccc(-c3cc([O-])cc(Cl)c3)nc2)CC1 ZINC001235901734 1130799059 /nfs/dbraw/zinc/79/90/59/1130799059.db2.gz XNTFMDBEBLGUQX-UHFFFAOYSA-N -1 3 270.719 3.663 20 30 CHEDHM CCC(=NOCC1CC1)c1cc(Br)ccc1[O-] ZINC000814242132 1130852262 /nfs/dbraw/zinc/85/22/62/1130852262.db2.gz USOLARFIRZIPBX-UHFFFAOYSA-N -1 3 298.180 3.695 20 30 CHEDHM Cc1c(-c2cc(/C=N/[O-])ccc2F)cnn1-c1ccccc1 ZINC001236405817 1130930597 /nfs/dbraw/zinc/93/05/97/1130930597.db2.gz VYJGLPAKRWMTEF-KEBDBYFISA-N -1 3 295.317 3.795 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000814941598 1130940451 /nfs/dbraw/zinc/94/04/51/1130940451.db2.gz NMOKEEOQIKWESG-UHFFFAOYSA-N -1 3 294.128 3.821 20 30 CHEDHM C#CC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085382 1131047533 /nfs/dbraw/zinc/04/75/33/1131047533.db2.gz YWQSACKPPYIOIW-UHFFFAOYSA-N -1 3 284.186 3.544 20 30 CHEDHM N#CCOc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001212608966 1131140838 /nfs/dbraw/zinc/14/08/38/1131140838.db2.gz OQPFQYIHGWIBJR-UHFFFAOYSA-N -1 3 274.707 3.692 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCc1ccc(F)cc1 ZINC000846551144 1131713134 /nfs/dbraw/zinc/71/31/34/1131713134.db2.gz XEWRKJOENWXASW-CYBMUJFWSA-N -1 3 279.355 3.551 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC000846551275 1131713197 /nfs/dbraw/zinc/71/31/97/1131713197.db2.gz ZCUOTBZWBYYXEJ-CYBMUJFWSA-N -1 3 291.416 3.571 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000846538727 1131714578 /nfs/dbraw/zinc/71/45/78/1131714578.db2.gz XSGRBMZNMYKWEN-UHFFFAOYSA-N -1 3 288.174 3.550 20 30 CHEDHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)[C@H](C)S ZINC001228133386 1131814298 /nfs/dbraw/zinc/81/42/98/1131814298.db2.gz DTHGDDRAPPILQW-MNOVXSKESA-N -1 3 282.405 3.633 20 30 CHEDHM C=CC[C@@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228150883 1131818891 /nfs/dbraw/zinc/81/88/91/1131818891.db2.gz BYMPWTMKFCXTGZ-CYBMUJFWSA-N -1 3 282.339 3.967 20 30 CHEDHM CC#C[C@H](CC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228156239 1131820478 /nfs/dbraw/zinc/82/04/78/1131820478.db2.gz ZQGGBYVVTHSEMA-INIZCTEOSA-N -1 3 294.350 3.804 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228697391 1131934637 /nfs/dbraw/zinc/93/46/37/1131934637.db2.gz KNZVRZYJVXWXSY-HUUCEWRRSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228695315 1131934811 /nfs/dbraw/zinc/93/48/11/1131934811.db2.gz MWADLIWRGHYCNG-UKRRQHHQSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228695315 1131934819 /nfs/dbraw/zinc/93/48/19/1131934819.db2.gz MWADLIWRGHYCNG-UKRRQHHQSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228695315 1131934824 /nfs/dbraw/zinc/93/48/24/1131934824.db2.gz MWADLIWRGHYCNG-UKRRQHHQSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228695313 1131936033 /nfs/dbraw/zinc/93/60/33/1131936033.db2.gz MWADLIWRGHYCNG-DZGCQCFKSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228695313 1131936040 /nfs/dbraw/zinc/93/60/40/1131936040.db2.gz MWADLIWRGHYCNG-DZGCQCFKSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228695313 1131936047 /nfs/dbraw/zinc/93/60/47/1131936047.db2.gz MWADLIWRGHYCNG-DZGCQCFKSA-N -1 3 296.374 3.547 20 30 CHEDHM N#CC1CCC(Oc2cccc([O-])c2Br)CC1 ZINC001229140049 1132026059 /nfs/dbraw/zinc/02/60/59/1132026059.db2.gz SBOBUBFZUMPTIG-UHFFFAOYSA-N -1 3 296.164 3.616 20 30 CHEDHM C#CC[C@@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224397 1132274278 /nfs/dbraw/zinc/27/42/78/1132274278.db2.gz YLVJNEMDMDZZAP-CYBMUJFWSA-N -1 3 268.312 3.975 20 30 CHEDHM C#C[C@@H](CC)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224083 1132274327 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N#Cc1cnc(NCc2c([O-])cccc2F)c2sccc21 ZINC001164185463 1133204770 /nfs/dbraw/zinc/20/47/70/1133204770.db2.gz HYXSCEGIFAIYJB-UHFFFAOYSA-N -1 3 299.330 3.625 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001164450764 1133218953 /nfs/dbraw/zinc/21/89/53/1133218953.db2.gz FXFTWCIKRAXJBR-UHFFFAOYSA-N -1 3 289.419 3.832 20 30 CHEDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(S)CC1 ZINC001203582010 1133343185 /nfs/dbraw/zinc/34/31/85/1133343185.db2.gz MIIYYKHZYSLOHK-UHFFFAOYSA-N -1 3 292.231 3.593 20 30 CHEDHM N#Cc1ccc2nccc(-c3ccc([O-])cc3F)c2c1 ZINC001206057455 1133650481 /nfs/dbraw/zinc/65/04/81/1133650481.db2.gz DJRRYMDKQFGKMG-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM C#Cc1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001210113547 1134151523 /nfs/dbraw/zinc/15/15/23/1134151523.db2.gz PYPLXVBNIITCPH-UHFFFAOYSA-N -1 3 266.325 3.727 20 30 CHEDHM Cc1cc(F)c(Nc2ccc([O-])c(C#N)c2)cc1F ZINC001210532877 1134241157 /nfs/dbraw/zinc/24/11/57/1134241157.db2.gz JZJFNGTYGUXMQS-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM N#Cc1cc(Cl)cc(Nc2ccc(F)c([O-])c2)c1 ZINC001210539173 1134242566 /nfs/dbraw/zinc/24/25/66/1134242566.db2.gz REPGNKRTUQZCLD-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CC#Cc1cncc(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001211062613 1134360734 /nfs/dbraw/zinc/36/07/34/1134360734.db2.gz ZHIIHQGFOYIVBB-UHFFFAOYSA-N -1 3 272.735 3.864 20 30 CHEDHM CNc1ccc(C#N)cc1Nc1ccc(Cl)cc1[O-] ZINC001214411949 1134536404 /nfs/dbraw/zinc/53/64/04/1134536404.db2.gz VVFHPFCDJXTBJU-UHFFFAOYSA-N -1 3 273.723 3.703 20 30 CHEDHM Cc1cc(Cl)c([N-]c2oncc2C#N)c(Cl)c1 ZINC001214495823 1134545691 /nfs/dbraw/zinc/54/56/91/1134545691.db2.gz FMMOLJPUJOPKIH-UHFFFAOYSA-N -1 3 268.103 3.905 20 30 CHEDHM CSc1ccc(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001215453088 1134628767 /nfs/dbraw/zinc/62/87/67/1134628767.db2.gz JKQKLUPAMXMULK-UHFFFAOYSA-N -1 3 274.320 3.868 20 30 CHEDHM CSc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001215825868 1134695317 /nfs/dbraw/zinc/69/53/17/1134695317.db2.gz JFQIVIDKYPQWDH-UHFFFAOYSA-N -1 3 274.320 3.868 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(Cl)c3n[nH]cc32)c1 ZINC001215943769 1134726738 /nfs/dbraw/zinc/72/67/38/1134726738.db2.gz XNIFZNIORAKPQB-UHFFFAOYSA-N -1 3 284.706 3.537 20 30 CHEDHM N#Cc1cc(Nc2c([O-])cccc2Cl)cs1 ZINC001215984315 1134740611 /nfs/dbraw/zinc/74/06/11/1134740611.db2.gz GVWINXHXXFNFTF-UHFFFAOYSA-N -1 3 250.710 3.722 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cc(F)c(F)cc2Cl)c1 ZINC001216372079 1134871545 /nfs/dbraw/zinc/87/15/45/1134871545.db2.gz BMDDTVRDFOGNRD-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1cc(C#N)cc(C)c1-c1cc(/C=N/[O-])ccc1F ZINC001222666127 1135261693 /nfs/dbraw/zinc/26/16/93/1135261693.db2.gz BHMZVURYMRHBKN-DJKKODMXSA-N -1 3 268.291 3.789 20 30 CHEDHM Cc1ccc(Cl)cc1[C@@H](C)O/C(=N\[O-])c1ccccn1 ZINC001223976371 1135404374 /nfs/dbraw/zinc/40/43/74/1135404374.db2.gz RJHGLGCDBGTPCZ-FOTIKMNESA-N -1 3 290.750 3.957 20 30 CHEDHM C=CC[C@@H](Oc1ccc2c([O-])coc2c1)c1ccccc1 ZINC001225343627 1135549233 /nfs/dbraw/zinc/54/92/33/1135549233.db2.gz ZYHCTKWRLGRMKZ-QGZVFWFLSA-N -1 3 280.323 3.958 20 30 CHEDHM C=C[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226485172 1135703598 /nfs/dbraw/zinc/70/35/98/1135703598.db2.gz MXPCMIWRIHJRAW-HNNXBMFYSA-N -1 3 284.311 3.607 20 30 CHEDHM C=CC[C@H](CCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597910 1135717772 /nfs/dbraw/zinc/71/77/72/1135717772.db2.gz YEVSCFFJAZZVCR-GFCCVEGCSA-N -1 3 274.316 3.622 20 30 CHEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351707 1135825037 /nfs/dbraw/zinc/82/50/37/1135825037.db2.gz XRTAFEAABJCRND-CYBMUJFWSA-N -1 3 295.338 3.969 20 30 CHEDHM CSc1nnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[n-]1 ZINC000329054817 227274902 /nfs/dbraw/zinc/27/49/02/227274902.db2.gz HVOAXNVTOKPBOW-GARJFASQSA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1n[n-]c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC000329054817 227274905 /nfs/dbraw/zinc/27/49/05/227274905.db2.gz HVOAXNVTOKPBOW-GARJFASQSA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1nc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)n[n-]1 ZINC000329054817 227274911 /nfs/dbraw/zinc/27/49/11/227274911.db2.gz HVOAXNVTOKPBOW-GARJFASQSA-N -1 3 294.424 3.721 20 30 CHEDHM COc1cccc(C(=O)NCC2CCC(F)(F)CC2)c1[O-] ZINC000331228511 264151418 /nfs/dbraw/zinc/15/14/18/264151418.db2.gz FOTUKIZGRKVBQY-UHFFFAOYSA-N -1 3 299.317 3.531 20 30 CHEDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c([O-])c1 ZINC000331235450 264174396 /nfs/dbraw/zinc/17/43/96/264174396.db2.gz LKHAFDDVNBQAPP-ZIAGYGMSSA-N -1 3 291.391 3.599 20 30 CHEDHM C=CCC(CC=C)C(=O)N=c1[nH][n-]c(C)c1-c1ccccc1 ZINC000531833225 328041122 /nfs/dbraw/zinc/04/11/22/328041122.db2.gz JURDRFQLCNLIOM-UHFFFAOYSA-N -1 3 295.386 3.514 20 30 CHEDHM C=CC[C@H](CC)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000368185768 328936731 /nfs/dbraw/zinc/93/67/31/328936731.db2.gz WEELAJODPDKGDU-ZDUSSCGKSA-N -1 3 298.390 3.573 20 30 CHEDHM Cc1scc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000180731732 329222698 /nfs/dbraw/zinc/22/26/98/329222698.db2.gz PCWAUZLSKVIXFG-NSHDSACASA-N -1 3 295.367 3.731 20 30 CHEDHM C=CCC[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182851891 329245424 /nfs/dbraw/zinc/24/54/24/329245424.db2.gz VHYBTECYNQBJOA-KRWDZBQOSA-N -1 3 281.355 3.830 20 30 CHEDHM C=CCCS(=O)(=O)[N-]c1ccccc1SC(C)C ZINC000120303498 330387734 /nfs/dbraw/zinc/38/77/34/330387734.db2.gz PXHCVKMDRUPRRU-UHFFFAOYSA-N -1 3 285.434 3.505 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1ccc(CC)cc1[O-] ZINC000436831826 330686261 /nfs/dbraw/zinc/68/62/61/330686261.db2.gz GZUVFFIVATZGFT-UHFFFAOYSA-N -1 3 275.392 3.773 20 30 CHEDHM C=CCCC[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469826416 331462096 /nfs/dbraw/zinc/46/20/96/331462096.db2.gz ZQKBRVCALRPYGO-ZDUSSCGKSA-N -1 3 293.382 3.715 20 30 CHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(Cl)c2C)nc(C)n1 ZINC000489882321 332071698 /nfs/dbraw/zinc/07/16/98/332071698.db2.gz HBXUUQDWOQBCTK-CYBMUJFWSA-N -1 3 299.761 3.545 20 30 CHEDHM C=CCC[C@@H](NCc1ncccc1[O-])c1ccccc1 ZINC000564301208 334022009 /nfs/dbraw/zinc/02/20/09/334022009.db2.gz IPKRASWEZXTUMQ-OAHLLOKOSA-N -1 3 268.360 3.584 20 30 CHEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000079263214 334151078 /nfs/dbraw/zinc/15/10/78/334151078.db2.gz WOTAAXOJBHSJCM-UHFFFAOYSA-N -1 3 280.736 3.681 20 30 CHEDHM CSc1ccc(C(=O)[N-]c2sc(C)c(C)c2C#N)o1 ZINC000334683745 534187850 /nfs/dbraw/zinc/18/78/50/534187850.db2.gz QVCHXMZPAZWNIH-UHFFFAOYSA-N -1 3 292.385 3.804 20 30 CHEDHM C=CCC[C@@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC000833373030 605144540 /nfs/dbraw/zinc/14/45/40/605144540.db2.gz DKSMOTVNFKLLFG-OAHLLOKOSA-N -1 3 285.343 3.775 20 30 CHEDHM CCc1sc(C([O-])=C(C#N)c2ccccn2)cc1C ZINC000046705983 1125468591 /nfs/dbraw/zinc/46/85/91/1125468591.db2.gz KMFGWHJTSCXSSX-LLVKDONJSA-N -1 3 270.357 3.504 20 30 CHEDHM C=CCCCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000629368264 975086031 /nfs/dbraw/zinc/08/60/31/975086031.db2.gz UCKKXCHESBSVFJ-UHFFFAOYSA-N -1 3 291.366 3.628 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccsc1C(F)(F)F ZINC000869617075 1124522483 /nfs/dbraw/zinc/52/24/83/1124522483.db2.gz KCCNBBJTYUWKSM-UHFFFAOYSA-N -1 3 299.264 3.595 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000846545709 1131713474 /nfs/dbraw/zinc/71/34/74/1131713474.db2.gz PKPQNYJBVPVELU-ZIAGYGMSSA-N -1 3 261.365 3.501 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cnc(Cl)c(C)c2)ccc1[O-] ZINC000760266154 1125551464 /nfs/dbraw/zinc/55/14/64/1125551464.db2.gz SIEYXRBFPFMEAA-HWKANZROSA-N -1 3 287.746 3.954 20 30 CHEDHM C[C@H](NCC1(C#N)CCCCC1)c1c([O-])cccc1F ZINC000886638382 1125700646 /nfs/dbraw/zinc/70/06/46/1125700646.db2.gz SEMMYWJSBWNBIU-LBPRGKRZSA-N -1 3 276.355 3.656 20 30 CHEDHM O=C(c1ccc(Cl)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901379156 1129918777 /nfs/dbraw/zinc/91/87/77/1129918777.db2.gz QUXRZGVIOOFEDX-UHFFFAOYSA-N -1 3 279.698 3.511 20 30 CHEDHM CS[C@@H](C)CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190372 1126837419 /nfs/dbraw/zinc/83/74/19/1126837419.db2.gz KXCGACYJRMHGGB-JTQLQIEISA-N -1 3 287.812 3.590 20 30 CHEDHM Cc1cc(Cl)cc(C=NOCCC(F)(F)F)c1[O-] ZINC000777463004 1126941380 /nfs/dbraw/zinc/94/13/80/1126941380.db2.gz VSNOFYMNCGWLFN-UHFFFAOYSA-N -1 3 281.661 3.657 20 30 CHEDHM CC(C)=CCC[C@@H](C)CCN=Nc1nc(C)cc(=O)[n-]1 ZINC000916241881 1128413179 /nfs/dbraw/zinc/41/31/79/1128413179.db2.gz ZCGPTWFMWQMDON-GFCCVEGCSA-N -1 3 276.384 3.661 20 30 CHEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000920944672 1128696113 /nfs/dbraw/zinc/69/61/13/1128696113.db2.gz HVPOZUTUFWSQEK-LGQZLYSRSA-N -1 3 260.724 3.621 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)ccc1[O-] ZINC000728230279 1118050664 /nfs/dbraw/zinc/05/06/64/1118050664.db2.gz CNGGWDZWITVKLE-GQCTYLIASA-N -1 3 282.339 3.919 20 30 CHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1C ZINC000728230202 1118052491 /nfs/dbraw/zinc/05/24/91/1118052491.db2.gz BJIDCCASKPHGDO-DAXSKMNVSA-N -1 3 282.339 3.914 20 30 CHEDHM CCOc1ccccc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728231949 1118052835 /nfs/dbraw/zinc/05/28/35/1118052835.db2.gz OPQUQTZFYJFCSK-DHZHZOJOSA-N -1 3 282.339 3.995 20 30 CHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1F ZINC000728231651 1118056306 /nfs/dbraw/zinc/05/63/06/1118056306.db2.gz MTDUKVKIYKPJBY-UTCJRWHESA-N -1 3 286.302 3.744 20 30 CHEDHM COc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1OC ZINC000728231192 1118058586 /nfs/dbraw/zinc/05/85/86/1118058586.db2.gz JPMIFZMTYKTLMM-YFHOEESVSA-N -1 3 298.338 3.614 20 30 CHEDHM C=CCN(CC=C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000212260928 1118076220 /nfs/dbraw/zinc/07/62/20/1118076220.db2.gz PGRMQWFHWSHUKO-CYBMUJFWSA-N -1 3 299.292 3.505 20 30 CHEDHM CCC(=NNc1nc2ccccc2[nH]1)c1ccc([O-])c(F)c1 ZINC000764657669 1118104691 /nfs/dbraw/zinc/10/46/91/1118104691.db2.gz BZMCGNKSYFHNEO-UHFFFAOYSA-N -1 3 298.321 3.634 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cnc(-c2ccco2)s1 ZINC001651228194 1118264898 /nfs/dbraw/zinc/26/48/98/1118264898.db2.gz ZDGFKZAAMVUKSS-UHFFFAOYSA-N -1 3 294.376 3.815 20 30 CHEDHM C#CCCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC001649046475 1118266671 /nfs/dbraw/zinc/26/66/71/1118266671.db2.gz USTKWEGVYONEJJ-UHFFFAOYSA-N -1 3 279.767 3.642 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCc2ccccc21 ZINC001649057008 1118283992 /nfs/dbraw/zinc/28/39/92/1118283992.db2.gz OFXKAGXXQFROCJ-MRXNPFEDSA-N -1 3 275.392 3.905 20 30 CHEDHM CCCCCCN([O-])C(=O)CNc1c(C)cccc1C ZINC001649056975 1118284608 /nfs/dbraw/zinc/28/46/08/1118284608.db2.gz NEGYUVLKDCUJDA-UHFFFAOYSA-N -1 3 278.396 3.513 20 30 CHEDHM CCCCN([O-])C(=O)CCCOc1ccc(Cl)cc1 ZINC001649061810 1118295858 /nfs/dbraw/zinc/29/58/58/1118295858.db2.gz ZVZDHHRBAWBNHN-UHFFFAOYSA-N -1 3 285.771 3.517 20 30 CHEDHM Cc1cc(C#N)cc(Cl)c1Nc1ccc([O-])c(C#N)c1 ZINC001210529883 1118313776 /nfs/dbraw/zinc/31/37/76/1118313776.db2.gz ZQFWMWXWUFKUPY-UHFFFAOYSA-N -1 3 283.718 3.841 20 30 CHEDHM C=CCCN(OCc1ccccc1)C(=O)c1ccccc1[O-] ZINC000189909277 1128787574 /nfs/dbraw/zinc/78/75/74/1128787574.db2.gz OSDWDQXCBITVHG-UHFFFAOYSA-N -1 3 297.354 3.542 20 30 CHEDHM C=CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000656760153 1118651105 /nfs/dbraw/zinc/65/11/05/1118651105.db2.gz PRDLDEOBEOZVNW-LBPRGKRZSA-N -1 3 293.794 3.826 20 30 CHEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378629 1119709976 /nfs/dbraw/zinc/70/99/76/1119709976.db2.gz MJPMYYIKAIDAIG-LBPRGKRZSA-N -1 3 299.399 3.893 20 30 CHEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000617779095 1128872744 /nfs/dbraw/zinc/87/27/44/1128872744.db2.gz VKZDERUTGKOMSD-GFCCVEGCSA-N -1 3 291.416 3.542 20 30 CHEDHM N#CC(=C([O-])c1cccc(C2CCCC2)c1)c1ccncn1 ZINC000659115349 1120014800 /nfs/dbraw/zinc/01/48/00/1120014800.db2.gz WEYKOQULFWQBKP-INIZCTEOSA-N -1 3 291.354 3.624 20 30 CHEDHM C=CCCO[N-]C(=O)CCc1c(Cl)cccc1Cl ZINC000856028026 1120535081 /nfs/dbraw/zinc/53/50/81/1120535081.db2.gz KDGCLBPFUPIGAR-UHFFFAOYSA-N -1 3 288.174 3.550 20 30 CHEDHM N#Cc1c(F)cc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175103811 1121167805 /nfs/dbraw/zinc/16/78/05/1121167805.db2.gz ZDQUFJOYRDMCKM-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM Cc1csc(Nc2c(F)cc([O-])cc2F)c1C#N ZINC001175094441 1121183050 /nfs/dbraw/zinc/18/30/50/1121183050.db2.gz FHKAXTOIYOYLDW-UHFFFAOYSA-N -1 3 266.272 3.656 20 30 CHEDHM N#Cc1cc(Nc2c(F)ccc([O-])c2F)cc(F)c1F ZINC001175267868 1121269673 /nfs/dbraw/zinc/26/96/73/1121269673.db2.gz JRGMPRSYWHDQBE-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM Cc1cc(Nc2cc([O-])cc(Cl)c2)ccc1C#N ZINC001176624909 1121663920 /nfs/dbraw/zinc/66/39/20/1121663920.db2.gz RKRGAGOFTQYONL-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM COC[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000727062363 1121692053 /nfs/dbraw/zinc/69/20/53/1121692053.db2.gz XTJFMUXJIHKCDH-PACYTGELSA-N -1 3 289.762 3.852 20 30 CHEDHM C#C[C@H](Cc1ccccc1)OC(=O)c1cc2ccsc2[n-]1 ZINC000773836455 1121916936 /nfs/dbraw/zinc/91/69/36/1121916936.db2.gz NXEONVRFXYRBHL-CQSZACIVSA-N -1 3 295.363 3.631 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC001184314622 1122266823 /nfs/dbraw/zinc/26/68/23/1122266823.db2.gz CMBMUDSXFJITGC-AWEZNQCLSA-N -1 3 279.380 3.561 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cc(C)c2ccccc2n1 ZINC001184305898 1122267302 /nfs/dbraw/zinc/26/73/02/1122267302.db2.gz WFEBLGAYBBNEKC-UHFFFAOYSA-N -1 3 286.375 3.955 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC001184315228 1122267704 /nfs/dbraw/zinc/26/77/04/1122267704.db2.gz VLPMHDLZYCCNKP-JKSUJKDBSA-N -1 3 291.391 3.597 20 30 CHEDHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)c1cccs1 ZINC001184283754 1122269109 /nfs/dbraw/zinc/26/91/09/1122269109.db2.gz PJJGCTWDSDFLGO-JTQLQIEISA-N -1 3 295.791 3.923 20 30 CHEDHM Cc1cccc(CC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293275 1122269701 /nfs/dbraw/zinc/26/97/01/1122269701.db2.gz MKNCXMOSTYXENE-UHFFFAOYSA-N -1 3 297.398 3.778 20 30 CHEDHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001184283042 1122269741 /nfs/dbraw/zinc/26/97/41/1122269741.db2.gz ASUZMFKCSGHBIM-GFCCVEGCSA-N -1 3 289.762 3.862 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(F)cc1F ZINC000894769706 1122901906 /nfs/dbraw/zinc/90/19/06/1122901906.db2.gz GJUFZIXZMXJYLC-UHFFFAOYSA-N -1 3 289.272 3.528 20 30 CHEDHM COc1cccc(OC)c1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000776189314 1123103154 /nfs/dbraw/zinc/10/31/54/1123103154.db2.gz DVFHKRPGVYBFPB-CSKARUKUSA-N -1 3 298.338 3.614 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cc(C)ccc2C)ccc1[O-] ZINC000005156325 1123190537 /nfs/dbraw/zinc/19/05/37/1123190537.db2.gz XXYKJCVMSBNMFH-SOFGYWHQSA-N -1 3 282.339 3.914 20 30 CHEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000335754746 1123422511 /nfs/dbraw/zinc/42/25/11/1123422511.db2.gz OESINBLEGPDFFI-UHFFFAOYSA-N -1 3 298.317 3.585 20 30 CHEDHM N#Cc1cc([O-])ccc1-c1ccc([C@@H](O)C2CCC2)cc1 ZINC000854200983 1123475680 /nfs/dbraw/zinc/47/56/80/1123475680.db2.gz AAHOCVKBTXTPLW-SFHVURJKSA-N -1 3 279.339 3.764 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(F)cc2F)ccc1[O-] ZINC000728232068 1123773313 /nfs/dbraw/zinc/77/33/13/1123773313.db2.gz RZZSZCWDQSHBKP-CLTKARDFSA-N -1 3 274.266 3.875 20 30 CHEDHM C=CC[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000862545226 1123819096 /nfs/dbraw/zinc/81/90/96/1123819096.db2.gz LIXNQTDSHCAWDI-NSHDSACASA-N -1 3 287.384 3.645 20 30 CHEDHM N#C[C@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125254 1123846374 /nfs/dbraw/zinc/84/63/74/1123846374.db2.gz QUEBBHMJWNOZQX-JTQLQIEISA-N -1 3 297.387 3.774 20 30 CHEDHM C[C@@H]1SCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125488 1123846383 /nfs/dbraw/zinc/84/63/83/1123846383.db2.gz XNFYAEFMMKXPTE-QMMMGPOBSA-N -1 3 290.417 3.586 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000794925860 1124074443 /nfs/dbraw/zinc/07/44/43/1124074443.db2.gz FGTODGCUUWMZOF-FNORWQNLSA-N -1 3 278.229 3.706 20 30 CHEDHM C=C(CC(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219722 1131248890 /nfs/dbraw/zinc/24/88/90/1131248890.db2.gz AAERCAGESBQDEM-UHFFFAOYSA-N -1 3 298.180 3.696 20 30 CHEDHM CC(=N[O-])c1ccc(-c2cc3ccccc3[nH]c2=O)cc1 ZINC001238884445 1131264421 /nfs/dbraw/zinc/26/44/21/1131264421.db2.gz SPFCBPCIUGFODU-YBFXNURJSA-N -1 3 278.311 3.806 20 30 CHEDHM C=CCC1(C(=O)[N-]OCCCC(F)(F)F)CCCCC1 ZINC000871216409 1124604002 /nfs/dbraw/zinc/60/40/02/1124604002.db2.gz RNWPDGJNWMQOPC-UHFFFAOYSA-N -1 3 293.329 3.903 20 30 CHEDHM COc1cccc(-c2cc(/C=N/[O-])ccc2F)c1C ZINC001238995219 1131287948 /nfs/dbraw/zinc/28/79/48/1131287948.db2.gz GHAREUSOTLGGRW-RQZCQDPDSA-N -1 3 259.280 3.618 20 30 CHEDHM COc1cccc([O-])c1C=Nc1ccc(C#N)cc1Cl ZINC000767688068 1129808511 /nfs/dbraw/zinc/80/85/11/1129808511.db2.gz JFWRAGZUMKYEEV-UHFFFAOYSA-N -1 3 286.718 3.676 20 30 CHEDHM Cc1cncc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000900091545 1129862639 /nfs/dbraw/zinc/86/26/39/1129862639.db2.gz AQFAEKUMGHZNST-UHFFFAOYSA-N -1 3 292.338 3.575 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCCC12CCOCC2 ZINC000800722156 1129886223 /nfs/dbraw/zinc/88/62/23/1129886223.db2.gz XGNXNAPHXGWYPB-GZQZNAIASA-N -1 3 293.794 3.814 20 30 CHEDHM C[C@H](CC1CCCC1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372148 1129917226 /nfs/dbraw/zinc/91/72/26/1129917226.db2.gz SEDIUJUDJXHOEK-GFCCVEGCSA-N -1 3 279.355 3.760 20 30 CHEDHM CC(C)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901371604 1129917481 /nfs/dbraw/zinc/91/74/81/1129917481.db2.gz FTGFFSNGVMRCCI-UHFFFAOYSA-N -1 3 287.334 3.981 20 30 CHEDHM Cc1ccc2oc(C(=O)N([O-])Cc3ccc(F)cc3)cc2c1 ZINC000901374868 1129918204 /nfs/dbraw/zinc/91/82/04/1129918204.db2.gz UXSBMRFCKSOSKY-UHFFFAOYSA-N -1 3 299.301 3.912 20 30 CHEDHM CC(C)(CC(=O)N([O-])Cc1ccc(F)cc1)CC(F)F ZINC000901373363 1129918428 /nfs/dbraw/zinc/91/84/28/1129918428.db2.gz XLRCGBWEGCTWIO-UHFFFAOYSA-N -1 3 289.297 3.615 20 30 CHEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)sc1C ZINC000901376490 1129918481 /nfs/dbraw/zinc/91/84/81/1129918481.db2.gz VKQSEFVICDZOBV-UHFFFAOYSA-N -1 3 279.336 3.536 20 30 CHEDHM COc1cc(/C=C\C(=O)c2ccco2)cc(Cl)c1[O-] ZINC000769772353 1129923216 /nfs/dbraw/zinc/92/32/16/1129923216.db2.gz XWKKSZYRCUHEQA-PLNGDYQASA-N -1 3 278.691 3.543 20 30 CHEDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1ccc(C#N)cc1 ZINC000786030080 1130074727 /nfs/dbraw/zinc/07/47/27/1130074727.db2.gz BOVNWQKNALRNTL-SNVBAGLBSA-N -1 3 280.283 3.551 20 30 CHEDHM COc1ccc(C)cc1-c1cc(/C=N/[O-])ccc1F ZINC001239769566 1130100740 /nfs/dbraw/zinc/10/07/40/1130100740.db2.gz LNZVDAFITPVZBK-RQZCQDPDSA-N -1 3 259.280 3.618 20 30 CHEDHM CCN(CC)C(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240054868 1130204810 /nfs/dbraw/zinc/20/48/10/1130204810.db2.gz YFGNIOOJYKUDQC-UHFFFAOYSA-N -1 3 296.370 3.644 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1cc(F)cc(F)c1 ZINC000748583754 1130236881 /nfs/dbraw/zinc/23/68/81/1130236881.db2.gz FMKGAZQDNAFNFQ-OCKHKDLRSA-N -1 3 295.716 3.985 20 30 CHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102915 1130429199 /nfs/dbraw/zinc/42/91/99/1130429199.db2.gz KAVKWFUYDMZKKK-QWPQOLDESA-N -1 3 299.333 3.519 20 30 CHEDHM N#CC(=C([O-])C1=CCCC1)c1nccc2ccccc21 ZINC000792096723 1130431746 /nfs/dbraw/zinc/43/17/46/1130431746.db2.gz QFHDUPJILCYDRK-OAHLLOKOSA-N -1 3 262.312 3.521 20 30 CHEDHM N#CCOc1ccccc1Nc1ccc([O-])c(Cl)c1 ZINC001212600892 1130466424 /nfs/dbraw/zinc/46/64/24/1130466424.db2.gz RLCQHHJKCYVILG-UHFFFAOYSA-N -1 3 274.707 3.692 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2ccc3c(c2)CCCO3)c1 ZINC001240775586 1130467381 /nfs/dbraw/zinc/46/73/81/1130467381.db2.gz ZXRACKZKHPZDTH-VCHYOVAHSA-N -1 3 271.291 3.626 20 30 CHEDHM C[Si](C)(C)C#Cc1ccc(-c2ccc([O-])c(F)c2)cn1 ZINC001240788090 1130471338 /nfs/dbraw/zinc/47/13/38/1130471338.db2.gz ZFHBBRVAPAEWHV-UHFFFAOYSA-N -1 3 285.394 3.822 20 30 CHEDHM CC(C)OC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240948624 1130529861 /nfs/dbraw/zinc/52/98/61/1130529861.db2.gz SETKBYNLXMSBMB-UHFFFAOYSA-N -1 3 283.327 3.727 20 30 CHEDHM Cc1cnc(-c2ccccc2[O-])c(C#C[Si](C)(C)C)c1 ZINC001241008191 1130563343 /nfs/dbraw/zinc/56/33/43/1130563343.db2.gz NKOWOASBZKSUBS-UHFFFAOYSA-N -1 3 281.431 3.992 20 30 CHEDHM N#Cc1cc([O-])cc(OC2CCC(C(F)(F)F)CC2)c1 ZINC001234139740 1130611348 /nfs/dbraw/zinc/61/13/48/1130611348.db2.gz KQQUNZYTRCVWKX-UHFFFAOYSA-N -1 3 285.265 3.764 20 30 CHEDHM Cc1ccc2c(c1)[C@@H](Oc1cc([O-])cc(C#N)c1)CC2 ZINC001234142575 1130611364 /nfs/dbraw/zinc/61/13/64/1130611364.db2.gz WIWQIUPHQACOBK-KRWDZBQOSA-N -1 3 265.312 3.639 20 30 CHEDHM Cc1ccc(COc2cc([O-])cc(C#N)c2)c(OC(C)C)c1 ZINC001234147899 1130612285 /nfs/dbraw/zinc/61/22/85/1130612285.db2.gz 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264159994 /nfs/dbraw/zinc/15/99/94/264159994.db2.gz QGOFFLXNLFGMCH-UHFFFAOYSA-N -1 3 292.358 3.616 20 30 CHEDHM CC(C)(C)CC(C)(C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000331201495 264159996 /nfs/dbraw/zinc/15/99/96/264159996.db2.gz QGOFFLXNLFGMCH-UHFFFAOYSA-N -1 3 292.358 3.616 20 30 CHEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000188647533 264238562 /nfs/dbraw/zinc/23/85/62/264238562.db2.gz BVZWCEWEMBXHHS-OAHLLOKOSA-N -1 3 297.782 3.521 20 30 CHEDHM CCN(CCC#N)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271043240 328194635 /nfs/dbraw/zinc/19/46/35/328194635.db2.gz ONEYLVDRBTXNNP-UHFFFAOYSA-N -1 3 280.371 3.795 20 30 CHEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000291753858 328266241 /nfs/dbraw/zinc/26/62/41/328266241.db2.gz KPWPMUQMHAPEAA-GFCCVEGCSA-N -1 3 289.379 3.587 20 30 CHEDHM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c([O-])c1 ZINC000192618485 328744319 /nfs/dbraw/zinc/74/43/19/328744319.db2.gz IHIRCBGQRMQTGP-UHFFFAOYSA-N -1 3 294.354 3.754 20 30 CHEDHM C=CCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000189797182 329387124 /nfs/dbraw/zinc/38/71/24/329387124.db2.gz PQJUIRXLZMUFJX-UHFFFAOYSA-N -1 3 265.740 3.731 20 30 CHEDHM C=C(C)[C@@H]([N-]c1nnc(C2CC2)o1)c1ccc(F)c(F)c1 ZINC000278189246 330118820 /nfs/dbraw/zinc/11/88/20/330118820.db2.gz DNBAKBHZIDVWAM-CYBMUJFWSA-N -1 3 291.301 3.955 20 30 CHEDHM CC[C@@H](C#N)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436605272 330681327 /nfs/dbraw/zinc/68/13/27/330681327.db2.gz LBAHRZAKAXKLHC-ZDUSSCGKSA-N -1 3 288.391 3.671 20 30 CHEDHM C=CCCCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442926880 330791713 /nfs/dbraw/zinc/79/17/13/330791713.db2.gz RFWROXCMWDVPDB-UHFFFAOYSA-N -1 3 289.253 3.586 20 30 CHEDHM N#CC(=C([O-])c1csc2ccccc12)c1ccccn1 ZINC000078732899 334139956 /nfs/dbraw/zinc/13/99/56/334139956.db2.gz XRGBAHBCUKLRSS-GFCCVEGCSA-N -1 3 278.336 3.786 20 30 CHEDHM Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000353518681 534543308 /nfs/dbraw/zinc/54/33/08/534543308.db2.gz LMNCSOBQURDGFL-ZDUSSCGKSA-N -1 3 268.316 3.597 20 30 CHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccco2)s1 ZINC000334818907 526749728 /nfs/dbraw/zinc/74/97/28/526749728.db2.gz LLCKUIJFFGTEQT-UHFFFAOYSA-N -1 3 274.345 3.763 20 30 CHEDHM C=CCC[C@@H](CCC)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573333769 947441816 /nfs/dbraw/zinc/44/18/16/947441816.db2.gz FAEWYGBIRFXRCM-CYBMUJFWSA-N -1 3 289.358 3.553 20 30 CHEDHM C=CCC[C@@H](CCC)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573333769 947441819 /nfs/dbraw/zinc/44/18/19/947441819.db2.gz FAEWYGBIRFXRCM-CYBMUJFWSA-N -1 3 289.358 3.553 20 30 CHEDHM C[C@H]1CCc2sc(C([O-])=C(C#N)c3ccccn3)cc2C1 ZINC000046706059 1125469252 /nfs/dbraw/zinc/46/92/52/1125469252.db2.gz VWFCHVWVZXVWBY-AAEUAGOBSA-N -1 3 296.395 3.758 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC001204156404 960603249 /nfs/dbraw/zinc/60/32/49/960603249.db2.gz BDFWABLJLSPEPO-UHFFFAOYSA-N -1 3 281.355 3.573 20 30 CHEDHM Cc1coc(C(=O)N([O-])Cc2ccccc2Cl)c1C ZINC001184283728 1122269329 /nfs/dbraw/zinc/26/93/29/1122269329.db2.gz OVGAYRIAHAEZKL-UHFFFAOYSA-N -1 3 279.723 3.581 20 30 CHEDHM C=CC[C@H](C=C)Oc1cccc([O-])c1Br ZINC001229144042 1132026227 /nfs/dbraw/zinc/02/62/27/1132026227.db2.gz ZVVCOMDWDZGXLH-VIFPVBQESA-N -1 3 269.138 3.664 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCC[C@]12CCCO2 ZINC000887269885 1125781545 /nfs/dbraw/zinc/78/15/45/1125781545.db2.gz DAQRJKUUQKMVDA-BIJYSIMDSA-N -1 3 279.767 3.566 20 30 CHEDHM CC[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901374164 1129918035 /nfs/dbraw/zinc/91/80/35/1129918035.db2.gz FOZPLUSPPZUNFC-ZDUSSCGKSA-N -1 3 267.344 3.616 20 30 CHEDHM CCC1(O)CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000771521181 1129984020 /nfs/dbraw/zinc/98/40/20/1129984020.db2.gz REUPUSHJUACIOP-YVLHZVERSA-N -1 3 281.783 3.548 20 30 CHEDHM CS[C@H](C)CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190373 1126837575 /nfs/dbraw/zinc/83/75/75/1126837575.db2.gz KXCGACYJRMHGGB-SNVBAGLBSA-N -1 3 287.812 3.590 20 30 CHEDHM Cc1nc(C)c(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)o1 ZINC000905070713 1126889729 /nfs/dbraw/zinc/88/97/29/1126889729.db2.gz MOJNTFURYNCBDE-LWYMYGMPSA-N -1 3 287.290 3.520 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCCCS1 ZINC000783682461 1130846891 /nfs/dbraw/zinc/84/68/91/1130846891.db2.gz VUEJNKAGOZJUDA-AZZDOICSSA-N -1 3 269.797 3.750 20 30 CHEDHM N#C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237080922 1131047169 /nfs/dbraw/zinc/04/71/69/1131047169.db2.gz HNFCFFHMLXIUCP-SNVBAGLBSA-N -1 3 299.201 3.825 20 30 CHEDHM CSC(C)(C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000174445216 1127892495 /nfs/dbraw/zinc/89/24/95/1127892495.db2.gz AACRHWOKXCDGBI-VGOFMYFVSA-N -1 3 257.786 3.606 20 30 CHEDHM CCCCC(=O)[C@H](CCCC)Oc1cc([O-])cc(C#N)c1 ZINC001234144998 1128098612 /nfs/dbraw/zinc/09/86/12/1128098612.db2.gz ZCEUVSWGIARQOZ-KRWDZBQOSA-N -1 3 289.375 3.961 20 30 CHEDHM COCc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000914557828 1128209430 /nfs/dbraw/zinc/20/94/30/1128209430.db2.gz LYPTYUMOPIAYIJ-VCHYOVAHSA-N -1 3 289.762 3.811 20 30 CHEDHM CCCCCCCC(=O)Nc1cccc([O-])c1F ZINC000762316555 1128291161 /nfs/dbraw/zinc/29/11/61/1128291161.db2.gz MBZAETJMYHQFTM-UHFFFAOYSA-N -1 3 253.317 3.830 20 30 CHEDHM [O-]c1cccc(Cl)c1C=NNc1cc(Cl)ccn1 ZINC000777907551 1128317850 /nfs/dbraw/zinc/31/78/50/1128317850.db2.gz VQZOLUHQPXGXJK-UHFFFAOYSA-N -1 3 282.130 3.540 20 30 CHEDHM Cc1cc(-c2cc([O-])cc(Cl)c2)nc(C)c1C#N ZINC001235900402 1128386050 /nfs/dbraw/zinc/38/60/50/1128386050.db2.gz NRZPVQZXUPUFMG-UHFFFAOYSA-N -1 3 258.708 3.596 20 30 CHEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1F ZINC000915983210 1128400679 /nfs/dbraw/zinc/40/06/79/1128400679.db2.gz UCJVSXZSWOFVQN-UHFFFAOYSA-N -1 3 279.698 3.944 20 30 CHEDHM C[C@@H]1CC(=NNc2ccc(C#N)cc2)c2c1c(F)ccc2[O-] ZINC000915961928 1128400752 /nfs/dbraw/zinc/40/07/52/1128400752.db2.gz KSIROZOXIAYUJJ-SNVBAGLBSA-N -1 3 295.317 3.726 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2csc3ccccc23)c1O ZINC000778518924 1128538732 /nfs/dbraw/zinc/53/87/32/1128538732.db2.gz UCTOCQRYLDKBOD-UHFFFAOYSA-N -1 3 285.324 3.769 20 30 CHEDHM COc1ccccc1CON=Cc1cc(Cl)ccc1[O-] ZINC000799117760 1128662076 /nfs/dbraw/zinc/66/20/76/1128662076.db2.gz OIBIRGINSDPSNR-UHFFFAOYSA-N -1 3 291.734 3.605 20 30 CHEDHM C[C@]1(C(=O)N([O-])Cc2cccc3ccccc32)CC1(F)F ZINC000901370570 1128671487 /nfs/dbraw/zinc/67/14/87/1128671487.db2.gz ACRHKLZQPJZUEH-OAHLLOKOSA-N -1 3 291.297 3.603 20 30 CHEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)c(Cl)c1 ZINC000255020693 1117992742 /nfs/dbraw/zinc/99/27/42/1117992742.db2.gz HKFVEIHTWBHEMT-UHFFFAOYSA-N -1 3 277.707 3.516 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1[O-] ZINC000728230703 1118047086 /nfs/dbraw/zinc/04/70/86/1118047086.db2.gz FUIMNHNWHDATMB-ZZXKWVIFSA-N -1 3 274.266 3.875 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2c(F)cccc2F)ccc1[O-] ZINC000728230682 1118049721 /nfs/dbraw/zinc/04/97/21/1118049721.db2.gz FEHYQCAGGLUVQU-SOFGYWHQSA-N -1 3 274.266 3.875 20 30 CHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1OC ZINC000728232459 1118066566 /nfs/dbraw/zinc/06/65/66/1118066566.db2.gz SYLIZETUIUKQGT-DAXSKMNVSA-N -1 3 298.338 3.614 20 30 CHEDHM N#Cc1ccc(Nc2ccc(F)cc2[O-])cc1Cl ZINC001210016386 1118131472 /nfs/dbraw/zinc/13/14/72/1118131472.db2.gz IXKBXYPICCYWBS-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM Cc1ccc(Cl)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000254929353 1118384572 /nfs/dbraw/zinc/38/45/72/1118384572.db2.gz CBXSVVJQKNRNAI-UHFFFAOYSA-N -1 3 277.707 3.516 20 30 CHEDHM CCc1occc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000430513925 1118503263 /nfs/dbraw/zinc/50/32/63/1118503263.db2.gz ZLCICCSSNWHTSL-GFCCVEGCSA-N -1 3 293.326 3.517 20 30 CHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc2c(c1)COC2 ZINC000255332958 1118640952 /nfs/dbraw/zinc/64/09/52/1118640952.db2.gz GSIXTWGYGYCBBJ-UHFFFAOYSA-N -1 3 273.719 3.826 20 30 CHEDHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000342918535 1119246586 /nfs/dbraw/zinc/24/65/86/1119246586.db2.gz KHEKMPODJXBPEG-UHFFFAOYSA-N -1 3 286.356 3.904 20 30 CHEDHM CC(C)Oc1cccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001212323204 1128851115 /nfs/dbraw/zinc/85/11/15/1128851115.db2.gz GTYISFWZTPDPFM-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cccc(C)c2)c(OC)cc1[O-] ZINC000255865693 1119786392 /nfs/dbraw/zinc/78/63/92/1119786392.db2.gz UXKWJYNKKFIJQC-FPLPWBNLSA-N -1 3 298.338 3.614 20 30 CHEDHM C=CC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000354203629 1120192628 /nfs/dbraw/zinc/19/26/28/1120192628.db2.gz LXUWUGDBYJPUNX-UHFFFAOYSA-N -1 3 281.355 3.584 20 30 CHEDHM Cc1cc(Cl)nc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212484125 1120364987 /nfs/dbraw/zinc/36/49/87/1120364987.db2.gz LGESSGLESARGLH-UHFFFAOYSA-N -1 3 295.676 3.643 20 30 CHEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])C12CCC2 ZINC000125182742 1120710943 /nfs/dbraw/zinc/71/09/43/1120710943.db2.gz XQBZVTFWNPBQRA-UYHBEJOSSA-N -1 3 293.794 3.812 20 30 CHEDHM Cc1cccc2cc(C([O-])=C(C#N)c3ccccn3)oc21 ZINC000147032781 1120734555 /nfs/dbraw/zinc/73/45/55/1120734555.db2.gz RZFKZOYYQWZIKY-ZDUSSCGKSA-N -1 3 276.295 3.626 20 30 CHEDHM CC(C)OC(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174917898 1121093550 /nfs/dbraw/zinc/09/35/50/1121093550.db2.gz PRGKAWOOVWOUSK-UHFFFAOYSA-N -1 3 296.326 3.573 20 30 CHEDHM CC(C)(C)n1cc(C#N)cc1Nc1c(F)ccc([O-])c1F ZINC001175262297 1121266042 /nfs/dbraw/zinc/26/60/42/1121266042.db2.gz BRAZGPMENYTEHX-UHFFFAOYSA-N -1 3 291.301 3.842 20 30 CHEDHM N#Cc1ccc(Cl)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267838 1121268701 /nfs/dbraw/zinc/26/87/01/1121268701.db2.gz AFWLNPWQNCJDQX-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1cc(C#N)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270807 1121270501 /nfs/dbraw/zinc/27/05/01/1121270501.db2.gz JXVGZXLUVUQNOL-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1coc([N-]c2c(F)c(F)c(F)c(F)c2F)c1C#N ZINC001175384584 1121308210 /nfs/dbraw/zinc/30/82/10/1121308210.db2.gz UJJLTEPURMLRIO-UHFFFAOYSA-N -1 3 288.175 3.899 20 30 CHEDHM CC(C)(C)c1nsc([N-]c2cc(F)cc(C#N)c2)n1 ZINC001175679025 1121428657 /nfs/dbraw/zinc/42/86/57/1121428657.db2.gz INDVKVDFKLCJHE-UHFFFAOYSA-N -1 3 276.340 3.590 20 30 CHEDHM N#Cc1ccc(-c2csc([N-]c3cscn3)n2)s1 ZINC001175940606 1121489769 /nfs/dbraw/zinc/48/97/69/1121489769.db2.gz GCWHJFAESPFMFI-UHFFFAOYSA-N -1 3 290.398 3.943 20 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279.380 3.561 20 30 CHEDHM CCCCCCN([O-])C(=O)c1scnc1C(C)(C)C ZINC001184305836 1122267000 /nfs/dbraw/zinc/26/70/00/1122267000.db2.gz SYRDLXINUZYIFZ-UHFFFAOYSA-N -1 3 284.425 3.852 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1cccc(OCCC)c1 ZINC001184305622 1122267037 /nfs/dbraw/zinc/26/70/37/1122267037.db2.gz NYHIBAYTCIIJPP-UHFFFAOYSA-N -1 3 293.407 3.816 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001184305991 1122267202 /nfs/dbraw/zinc/26/72/02/1122267202.db2.gz ZLZGEYUAUAHPHL-LLVKDONJSA-N -1 3 263.328 3.610 20 30 CHEDHM CCCCN([O-])C(=O)CCc1ccc(C(F)F)cc1 ZINC001184314830 1122268233 /nfs/dbraw/zinc/26/82/33/1122268233.db2.gz MMYYTKXKRVGFTM-UHFFFAOYSA-N -1 3 271.307 3.575 20 30 CHEDHM C=CCC(C)(C)c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000436562358 1122562040 /nfs/dbraw/zinc/56/20/40/1122562040.db2.gz FEJNVTVBCLUJDL-UHFFFAOYSA-N -1 3 272.348 3.858 20 30 CHEDHM CCc1cccc([O-])c1NC(=S)Nc1cccc(C#N)c1 ZINC001197722564 1122967776 /nfs/dbraw/zinc/96/77/76/1122967776.db2.gz CDQSJCVDQYIBOE-UHFFFAOYSA-N -1 3 297.383 3.635 20 30 CHEDHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCOCC1 ZINC000330548975 1123119307 /nfs/dbraw/zinc/11/93/07/1123119307.db2.gz WIHGCFTXWUTHBM-CQSZACIVSA-N -1 3 297.782 3.555 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2nc3c(s2)CCCC3)ccc1[O-] ZINC000776263204 1123189998 /nfs/dbraw/zinc/18/99/98/1123189998.db2.gz BVYNDWSBWYYVNP-CMDGGOBGSA-N -1 3 299.395 3.932 20 30 CHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])c2ccccc2c1 ZINC000856199246 1123550978 /nfs/dbraw/zinc/55/09/78/1123550978.db2.gz QRORGYQVWOOLIH-IYBDPMFKSA-N -1 3 293.366 3.869 20 30 CHEDHM O=C(NCc1ncccc1[O-])[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329920937 1123658331 /nfs/dbraw/zinc/65/83/31/1123658331.db2.gz HEOOVMDOLQJZLZ-MELADBBJSA-N -1 3 288.391 3.850 20 30 CHEDHM CSC1(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863124778 1123846336 /nfs/dbraw/zinc/84/63/36/1123846336.db2.gz CLSCADBEDXLQEB-UHFFFAOYSA-N -1 3 290.417 3.586 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cccs1 ZINC000794927536 1124074660 /nfs/dbraw/zinc/07/46/60/1124074660.db2.gz SPVFZGMOISZZDK-HYXAFXHYSA-N -1 3 266.268 3.628 20 30 CHEDHM Cc1noc(C)c1[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000129584397 1125343695 /nfs/dbraw/zinc/34/36/95/1125343695.db2.gz PQQXXIXFKKSIAE-YFEDRJBBSA-N -1 3 292.766 3.873 20 30 CHEDHM COCc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000741843044 1129457285 /nfs/dbraw/zinc/45/72/85/1129457285.db2.gz XUPVJPGVNMOXDB-CLFYSBASSA-N -1 3 282.339 3.743 20 30 CHEDHM C=CCOCc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242219843 1129695147 /nfs/dbraw/zinc/69/51/47/1129695147.db2.gz TXEKCPNLBXGQMY-UHFFFAOYSA-N -1 3 258.292 3.901 20 30 CHEDHM COc1ccc(F)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000768270128 1129848157 /nfs/dbraw/zinc/84/81/57/1129848157.db2.gz VYGPAYDSNFYPDD-UHFFFAOYSA-N -1 3 279.698 3.944 20 30 CHEDHM Cc1ccc2cc(C(=O)N([O-])Cc3ccc(F)cc3)[nH]c2c1 ZINC000900096271 1129863974 /nfs/dbraw/zinc/86/39/74/1129863974.db2.gz XZSZNXMXRXUALZ-UHFFFAOYSA-N -1 3 298.317 3.647 20 30 CHEDHM CCCCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900096267 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Cc1cccc2cc(C(=O)N([O-])Cc3ccc(F)cc3)oc21 ZINC000901374241 1129918001 /nfs/dbraw/zinc/91/80/01/1129918001.db2.gz HHXILEQUJQXBFJ-UHFFFAOYSA-N -1 3 299.301 3.912 20 30 CHEDHM CCc1sc(C(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000901376291 1129918290 /nfs/dbraw/zinc/91/82/90/1129918290.db2.gz SNQAAEQOYPYOTD-UHFFFAOYSA-N -1 3 293.363 3.790 20 30 CHEDHM CSc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375875 1129918498 /nfs/dbraw/zinc/91/84/98/1129918498.db2.gz MMNHOFVKWIIQNW-UHFFFAOYSA-N -1 3 291.347 3.579 20 30 CHEDHM Cc1c(C#N)cccc1N=Cc1cc(Cl)ccc1[O-] ZINC000769774293 1129923191 /nfs/dbraw/zinc/92/31/91/1129923191.db2.gz QNEMLMRZPDDLBX-UHFFFAOYSA-N -1 3 270.719 3.976 20 30 CHEDHM [O-]/N=C/c1ccc(-c2ccc3ncsc3c2)cc1F ZINC001240344923 1130272774 /nfs/dbraw/zinc/27/27/74/1130272774.db2.gz HGSNSVGUNJKYLQ-REZTVBANSA-N -1 3 272.304 3.911 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098887 1130431650 /nfs/dbraw/zinc/43/16/50/1130431650.db2.gz FONINPIOPRDPQI-KXPUMZMLSA-N -1 3 288.306 3.717 20 30 CHEDHM C=CCN(Cc1c([O-])ccc(Cl)c1F)C(C)C ZINC000792162538 1130434443 /nfs/dbraw/zinc/43/44/43/1130434443.db2.gz KSISAUAWQMEDDB-UHFFFAOYSA-N -1 3 257.736 3.581 20 30 CHEDHM C=CCOCc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240790960 1130473908 /nfs/dbraw/zinc/47/39/08/1130473908.db2.gz SQETVEYEGUUOMT-UHFFFAOYSA-N -1 3 258.292 3.901 20 30 CHEDHM [O-]/N=C/c1ccc(-c2ccc3cc[nH]c3c2)cc1F ZINC001240798104 1130477871 /nfs/dbraw/zinc/47/78/71/1130477871.db2.gz QEVFESWOINPHOD-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM N#CCc1cc2ccccc2nc1-c1ccccc1[O-] ZINC001241007842 1130563704 /nfs/dbraw/zinc/56/37/04/1130563704.db2.gz ARZRETKWYMMMMF-UHFFFAOYSA-N -1 3 260.296 3.673 20 30 CHEDHM CC(=N[O-])c1ccc(O[C@H](C(C)C)C(F)(F)F)cc1 ZINC001234082956 1130606222 /nfs/dbraw/zinc/60/62/22/1130606222.db2.gz BWELYONWQHQCOJ-GFCCVEGCSA-N -1 3 275.270 3.851 20 30 CHEDHM N#C[C@H](Oc1c([O-])cc(Cl)cc1F)c1ccccc1F ZINC001234443507 1130644234 /nfs/dbraw/zinc/64/42/34/1130644234.db2.gz HSUSIXNOIWXRNO-ZDUSSCGKSA-N -1 3 295.672 3.967 20 30 CHEDHM C=C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234451141 1130645632 /nfs/dbraw/zinc/64/56/32/1130645632.db2.gz FRCXFLMLAHILRH-AWEZNQCLSA-N -1 3 266.300 3.575 20 30 CHEDHM COc1nc(C(C)C)ccc1-c1cccc(/C=N/[O-])c1 ZINC001236444490 1130943393 /nfs/dbraw/zinc/94/33/93/1130943393.db2.gz LXUMFWXJRJQNHZ-LICLKQGHSA-N -1 3 270.332 3.689 20 30 CHEDHM C=CCN(C(=O)c1ccc(C)cc1[O-])C1CCCCC1 ZINC001148500545 1131860334 /nfs/dbraw/zinc/86/03/34/1131860334.db2.gz PAWLMAJRFXHTIJ-UHFFFAOYSA-N -1 3 273.376 3.662 20 30 CHEDHM C=C[C@@H](CCCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622830 1131924445 /nfs/dbraw/zinc/92/44/45/1131924445.db2.gz MGCQOIRJGDZFMZ-LBPRGKRZSA-N -1 3 288.343 3.931 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228697388 1131935144 /nfs/dbraw/zinc/93/51/44/1131935144.db2.gz KNZVRZYJVXWXSY-CABCVRRESA-N -1 3 296.374 3.547 20 30 CHEDHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1C#N ZINC001228855061 1131967277 /nfs/dbraw/zinc/96/72/77/1131967277.db2.gz BJCFTFLFFKTZBS-NSHDSACASA-N -1 3 293.322 3.533 20 30 CHEDHM C=C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228856188 1131968447 /nfs/dbraw/zinc/96/84/47/1131968447.db2.gz YRWPVHUIDGEGRC-KRWDZBQOSA-N -1 3 280.323 3.827 20 30 CHEDHM C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228957219 1131986573 /nfs/dbraw/zinc/98/65/73/1131986573.db2.gz DTGZEBUEGQDYQG-DYVFJYSZSA-N -1 3 286.371 3.899 20 30 CHEDHM C=CCC(CC=C)Oc1cc(O)cc([O-])c1Br ZINC001229098202 1132016397 /nfs/dbraw/zinc/01/63/97/1132016397.db2.gz CQAGPKGHHLIRFS-UHFFFAOYSA-N -1 3 299.164 3.760 20 30 CHEDHM C#CC[C@@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229538800 1132084585 /nfs/dbraw/zinc/08/45/85/1132084585.db2.gz SWTNLQIPPLZNQN-CQSZACIVSA-N -1 3 294.350 3.722 20 30 CHEDHM C=C[C@@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229542791 1132085100 /nfs/dbraw/zinc/08/51/00/1132085100.db2.gz PGHFJLTWZIGESW-CYBMUJFWSA-N -1 3 282.339 3.885 20 30 CHEDHM Cc1ncc(C#N)cc1Nc1ccc(C(F)(F)F)cc1[O-] ZINC001212632312 1132114185 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Cc1cc([O-])c(CN(CCC#N)CC(C)C)c(Cl)c1 ZINC000840908052 1132307398 /nfs/dbraw/zinc/30/73/98/1132307398.db2.gz NWIIKSBKDTUXQD-UHFFFAOYSA-N -1 3 280.799 3.726 20 30 CHEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001142075753 1132320546 /nfs/dbraw/zinc/32/05/46/1132320546.db2.gz NPLJXVZMKRKEFI-INIZCTEOSA-N -1 3 295.382 3.618 20 30 CHEDHM C#C[C@H]1CCCN(Cc2c(Cl)cc([O-])cc2Cl)C1 ZINC001142115045 1132328010 /nfs/dbraw/zinc/32/80/10/1132328010.db2.gz VEYHBWXNRDISEA-JTQLQIEISA-N -1 3 284.186 3.544 20 30 CHEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)c([O-])c1 ZINC001231735318 1132350229 /nfs/dbraw/zinc/35/02/29/1132350229.db2.gz NCDFXUGKGCDDTK-UHFFFAOYSA-N -1 3 286.762 3.549 20 30 CHEDHM CO[C@@H](C/N=C\c1cc(Cl)ccc1[O-])CC(C)C ZINC000841482689 1132368377 /nfs/dbraw/zinc/36/83/77/1132368377.db2.gz UOAXYGOEIRJWOH-KHAFMBKQSA-N -1 3 269.772 3.526 20 30 CHEDHM Cc1cc(C)c(Nc2cc(C#N)ccc2[O-])c(C)c1 ZINC001173844537 1132546832 /nfs/dbraw/zinc/54/68/32/1132546832.db2.gz CNWPVFVTGNKSSB-UHFFFAOYSA-N -1 3 252.317 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BMNNGQZEVBZUBI-HNNXBMFYSA-N -1 3 275.392 3.663 20 30 CHEDHM CC1(C)CC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001161818498 1133031662 /nfs/dbraw/zinc/03/16/62/1133031662.db2.gz BMNNGQZEVBZUBI-OAHLLOKOSA-N -1 3 275.392 3.663 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001161832761 1133034197 /nfs/dbraw/zinc/03/41/97/1133034197.db2.gz TVBHXLKOQKQAIK-HNNXBMFYSA-N -1 3 263.381 3.834 20 30 CHEDHM C[C@H]1CC(C(=O)N([O-])Cc2ccc(F)cc2)C[C@H](C)C1 ZINC001161842973 1133034840 /nfs/dbraw/zinc/03/48/40/1133034840.db2.gz VSGLPJJWGZIUNW-VXGBXAGGSA-N -1 3 279.355 3.616 20 30 CHEDHM CC1(C)C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001161842601 1133035590 /nfs/dbraw/zinc/03/55/90/1133035590.db2.gz JRIGUDMRIFCIBV-HNNXBMFYSA-N -1 3 269.344 3.604 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2c3cc[nH]c3ccc2F)c1 ZINC001204288363 1133430082 /nfs/dbraw/zinc/43/00/82/1133430082.db2.gz GJZBUAFPUDZWPV-UHFFFAOYSA-N -1 3 267.263 3.628 20 30 CHEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)c2cccnc12 ZINC001208621283 1133921372 /nfs/dbraw/zinc/92/13/72/1133921372.db2.gz MWMOPFOMOFXKGF-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM Cc1ccc(C)c(Nc2ccc(F)cc2[O-])c1C#N ZINC001210019801 1134122245 /nfs/dbraw/zinc/12/22/45/1134122245.db2.gz DTJVMKLVRWHLJU-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM N#CCc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210218884 1134168884 /nfs/dbraw/zinc/16/88/84/1134168884.db2.gz GXFIIZSEYATQEK-UHFFFAOYSA-N -1 3 258.708 3.855 20 30 CHEDHM N#CCc1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223357 1134171322 /nfs/dbraw/zinc/17/13/22/1134171322.db2.gz QRPOJKVAJVBSPH-UHFFFAOYSA-N -1 3 258.708 3.855 20 30 CHEDHM C#Cc1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214563887 1134551926 /nfs/dbraw/zinc/55/19/26/1134551926.db2.gz XWQXGHOAJPMGKZ-UHFFFAOYSA-N -1 3 261.683 3.910 20 30 CHEDHM Cc1cc(C#N)cc(Nc2cc(C)c(F)c([O-])c2)c1 ZINC001216082619 1134771326 /nfs/dbraw/zinc/77/13/26/1134771326.db2.gz AEZFGHFPBBTZED-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM CC(=O)c1cccc([O-])c1Nc1cccc(C#N)c1C ZINC001216176942 1134796374 /nfs/dbraw/zinc/79/63/74/1134796374.db2.gz PNXMLFOSIMXKFI-UHFFFAOYSA-N -1 3 266.300 3.519 20 30 CHEDHM Cn1cc(-c2ccccc2C=N[O-])c(-c2ccccc2)n1 ZINC001222553686 1135250720 /nfs/dbraw/zinc/25/07/20/1135250720.db2.gz BCQXDZWMXHMFTQ-UHFFFAOYSA-N -1 3 277.327 3.562 20 30 CHEDHM [O-]/N=C(\O[C@H]1CCc2ccc(Cl)cc21)c1ccccn1 ZINC001223976009 1135404991 /nfs/dbraw/zinc/40/49/91/1135404991.db2.gz KJNVFSLMXZYUIG-JZYMCLRRSA-N -1 3 288.734 3.575 20 30 CHEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccc(Cl)cc2)[n-]1 ZINC001225468738 1135571753 /nfs/dbraw/zinc/57/17/53/1135571753.db2.gz DBPQDNOOMWMXKR-JTQLQIEISA-N -1 3 288.734 3.761 20 30 CHEDHM C=C[C@@H](Oc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC001225993589 1135649308 /nfs/dbraw/zinc/64/93/08/1135649308.db2.gz HTYREIQGVNYWMZ-MRXNPFEDSA-N -1 3 268.312 3.901 20 30 CHEDHM Cc1ccc2c(c1)CC[C@@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226110217 1135663444 /nfs/dbraw/zinc/66/34/44/1135663444.db2.gz OSCJTEGHMYGKMW-SZLZGVTBSA-N -1 3 267.328 3.869 20 30 CHEDHM C=C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001226342427 1135685839 /nfs/dbraw/zinc/68/58/39/1135685839.db2.gz XEOSYZRSLPQBQX-AWEZNQCLSA-N -1 3 271.272 3.607 20 30 CHEDHM C=C[C@H](CCCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478779 1135701493 /nfs/dbraw/zinc/70/14/93/1135701493.db2.gz IMCXPTDGOOODMM-GFCCVEGCSA-N -1 3 278.348 3.814 20 30 CHEDHM C=CCC[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532134 1135708992 /nfs/dbraw/zinc/70/89/92/1135708992.db2.gz OIJQAWSEVWDLPO-LBPRGKRZSA-N -1 3 288.343 3.931 20 30 CHEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cccc([O-])c1Cl ZINC001226713147 1135733264 /nfs/dbraw/zinc/73/32/64/1135733264.db2.gz ZHLCPHOCWJHKQD-SNVBAGLBSA-N -1 3 298.766 3.711 20 30 CHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccc(F)cc1 ZINC001227345010 1135824314 /nfs/dbraw/zinc/82/43/14/1135824314.db2.gz HRPOUNOWRLZYPQ-SNVBAGLBSA-N -1 3 257.264 3.543 20 30 CHEDHM COc1csc(C(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC000336501649 533169071 /nfs/dbraw/zinc/16/90/71/533169071.db2.gz QVRWLDKZZOMOAM-UHFFFAOYSA-N -1 3 292.385 3.559 20 30 CHEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000161513432 262317142 /nfs/dbraw/zinc/31/71/42/262317142.db2.gz ZEQQQAGAIYSBDR-UHFFFAOYSA-N -1 3 298.386 3.595 20 30 CHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000287063154 263100781 /nfs/dbraw/zinc/10/07/81/263100781.db2.gz JNEJPBQEBZYGEI-XMQIJBHMSA-N -1 3 296.086 3.524 20 30 CHEDHM N#CCCN(Cc1cc([O-])cc(C(F)(F)F)c1)CC1CC1 ZINC000290447346 263116935 /nfs/dbraw/zinc/11/69/35/263116935.db2.gz OGYKQHJSDLNHEF-UHFFFAOYSA-N -1 3 298.308 3.537 20 30 CHEDHM CC(C)ON=C([O-])Nc1ccccc1S[C@@H](C)CC#N ZINC000296793579 263196889 /nfs/dbraw/zinc/19/68/89/263196889.db2.gz WIBXDRBQPCASLE-NSHDSACASA-N -1 3 293.392 3.542 20 30 CHEDHM CC(C)O[N-]C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000296793579 263196891 /nfs/dbraw/zinc/19/68/91/263196891.db2.gz WIBXDRBQPCASLE-NSHDSACASA-N -1 3 293.392 3.542 20 30 CHEDHM CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000331245736 264178752 /nfs/dbraw/zinc/17/87/52/264178752.db2.gz UDHOPCGHVGUTAC-OCCSQVGLSA-N -1 3 291.391 3.635 20 30 CHEDHM CC(C)(CCC#N)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000356479836 266123262 /nfs/dbraw/zinc/12/32/62/266123262.db2.gz QIQKJBDYRMPNHD-UHFFFAOYSA-N -1 3 296.370 3.605 20 30 CHEDHM N#CC[C@H](CC(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000356738621 266167252 /nfs/dbraw/zinc/16/72/52/266167252.db2.gz MXUAMMFVXYBYPJ-CYBMUJFWSA-N -1 3 298.317 3.557 20 30 CHEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000467930910 328429571 /nfs/dbraw/zinc/42/95/71/328429571.db2.gz TXFOEWVACRMDMS-VIFPVBQESA-N -1 3 287.281 3.952 20 30 CHEDHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000330998929 328472343 /nfs/dbraw/zinc/47/23/43/328472343.db2.gz VZROMVLIUBOAHD-NXEZZACHSA-N -1 3 268.382 3.512 20 30 CHEDHM N#Cc1ccccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000533701814 326910199 /nfs/dbraw/zinc/91/01/99/326910199.db2.gz AQZHRJRDEDJOHP-CSKARUKUSA-N -1 3 272.307 3.982 20 30 CHEDHM CC(C)(C#N)CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419590148 329741824 /nfs/dbraw/zinc/74/18/24/329741824.db2.gz RHTJELGEGIWTQU-UHFFFAOYSA-N -1 3 291.420 3.623 20 30 CHEDHM C=CCN(Cc1ccccc1F)C(=O)c1cccc(C)c1[O-] ZINC000195559470 331177760 /nfs/dbraw/zinc/17/77/60/331177760.db2.gz CYKICEZWFFQBFY-UHFFFAOYSA-N -1 3 299.345 3.668 20 30 CHEDHM C=C(C)C[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000579493842 335774127 /nfs/dbraw/zinc/77/41/27/335774127.db2.gz UWADTLNGRVKNMY-VIFPVBQESA-N -1 3 253.729 3.586 20 30 CHEDHM CC(C)(C)c1ncc(C(=O)[N-]c2sccc2C#N)s1 ZINC000335976365 526879478 /nfs/dbraw/zinc/87/94/78/526879478.db2.gz CMZNPZSDDRJVBF-UHFFFAOYSA-N -1 3 291.401 3.626 20 30 CHEDHM CCCC[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736440999 598437614 /nfs/dbraw/zinc/43/76/14/598437614.db2.gz LEAIUJXQCJWRKF-GFCCVEGCSA-N -1 3 298.394 3.625 20 30 CHEDHM CCCC[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736440999 598437615 /nfs/dbraw/zinc/43/76/15/598437615.db2.gz LEAIUJXQCJWRKF-GFCCVEGCSA-N -1 3 298.394 3.625 20 30 CHEDHM CCCCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000116029066 958458471 /nfs/dbraw/zinc/45/84/71/958458471.db2.gz DTJRSLOCUJEMIZ-MRXNPFEDSA-N -1 3 275.392 3.641 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cc(F)ccc1F ZINC000729641505 1125482740 /nfs/dbraw/zinc/48/27/40/1125482740.db2.gz KNUTWBGWCPRWHH-LSCVHKIXSA-N -1 3 281.689 3.943 20 30 CHEDHM C=CCCCC[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901913609 980624873 /nfs/dbraw/zinc/62/48/73/980624873.db2.gz ZVFUCBBGPUYJRT-QWRGUYRKSA-N -1 3 282.409 3.627 20 30 CHEDHM C#CC[C@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001588421806 983442790 /nfs/dbraw/zinc/44/27/90/983442790.db2.gz OKSPZWSCLFECRL-WFASDCNBSA-N -1 3 299.395 3.862 20 30 CHEDHM Cc1cc(C#N)c(F)cc1Nc1cccc([O-])c1F ZINC001212552294 1121291271 /nfs/dbraw/zinc/29/12/71/1121291271.db2.gz KOPMDVPYNRWYCZ-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM N#Cc1cc(Nc2c([O-])cccc2Cl)ccc1F ZINC001176618298 1121662304 /nfs/dbraw/zinc/66/23/04/1121662304.db2.gz ZCMBQSWRWJWMFN-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CSc1cc(C(=O)N([O-])Cc2ccccc2Cl)co1 ZINC001184283376 1122269807 /nfs/dbraw/zinc/26/98/07/1122269807.db2.gz HPXZEAIGRRVYCF-UHFFFAOYSA-N -1 3 297.763 3.687 20 30 CHEDHM N#CC1(CNCc2c([O-])cccc2Cl)CCCCC1 ZINC000850390309 1123261713 /nfs/dbraw/zinc/26/17/13/1123261713.db2.gz DUVGKCWOYFNRHD-UHFFFAOYSA-N -1 3 278.783 3.609 20 30 CHEDHM C#C[C@@H](Oc1cccc([O-])c1Cl)c1ccccc1 ZINC001226709648 1123270386 /nfs/dbraw/zinc/27/03/86/1123270386.db2.gz PPJZVYULZKIHOO-CYBMUJFWSA-N -1 3 258.704 3.799 20 30 CHEDHM N#CC1(CNCc2cc(Cl)cc(Cl)c2[O-])CCCC1 ZINC000846011701 1131677817 /nfs/dbraw/zinc/67/78/17/1131677817.db2.gz XTQQJJJDPCXLOD-UHFFFAOYSA-N -1 3 299.201 3.873 20 30 CHEDHM C[C@@H](NCC1(C#N)CCCCC1)c1c([O-])cccc1F ZINC000886638381 1125700473 /nfs/dbraw/zinc/70/04/73/1125700473.db2.gz SEMMYWJSBWNBIU-GFCCVEGCSA-N -1 3 276.355 3.656 20 30 CHEDHM O=C(c1ccccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901378137 1129919084 /nfs/dbraw/zinc/91/90/84/1129919084.db2.gz CVISNRHNWWVUMU-UHFFFAOYSA-N -1 3 279.698 3.511 20 30 CHEDHM CC(F)(F)CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904201149 1126838103 /nfs/dbraw/zinc/83/81/03/1126838103.db2.gz KOEYOTCAFDGPQV-UHFFFAOYSA-N -1 3 285.334 3.663 20 30 CHEDHM Cc1cc(C2OCCO2)c(C)cc1-c1ccc([O-])c(C#N)c1 ZINC000904795705 1126875714 /nfs/dbraw/zinc/87/57/14/1126875714.db2.gz WLDCUBAUWDSMCK-UHFFFAOYSA-N -1 3 295.338 3.593 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCCOC1CCCC1 ZINC000057752482 1127277626 /nfs/dbraw/zinc/27/76/26/1127277626.db2.gz VTPGFLCGPXHOGM-GZTJUZNOSA-N -1 3 281.783 3.814 20 30 CHEDHM C=CCCC1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000356484033 1127383685 /nfs/dbraw/zinc/38/36/85/1127383685.db2.gz SAIXLRRYFROFPS-UHFFFAOYSA-N -1 3 265.740 3.731 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000467996932 1127986668 /nfs/dbraw/zinc/98/66/68/1127986668.db2.gz XLMHAQNRKZISOL-SECBINFHSA-N -1 3 253.729 3.586 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccccc1F ZINC000920942092 1128694841 /nfs/dbraw/zinc/69/48/41/1128694841.db2.gz KKJYTOZNXPKWFI-VCHYOVAHSA-N -1 3 293.725 3.683 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(C3CC3)c2)n1 ZINC000654968829 1117825059 /nfs/dbraw/zinc/82/50/59/1117825059.db2.gz NALOWVNNVGFHIN-CQSZACIVSA-N -1 3 282.368 3.819 20 30 CHEDHM Cc1ccc(N(CCC#N)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000179484180 1128744120 /nfs/dbraw/zinc/74/41/20/1128744120.db2.gz MFNKZIXQHXOFMZ-UHFFFAOYSA-N -1 3 294.354 3.570 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cc(F)ccc2F)ccc1[O-] ZINC000728231997 1118053372 /nfs/dbraw/zinc/05/33/72/1118053372.db2.gz PTQMNYVURHXWIQ-UQCOIBPSSA-N -1 3 274.266 3.875 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccccc2F)ccc1[O-] ZINC000728231665 1118056346 /nfs/dbraw/zinc/05/63/46/1118056346.db2.gz MZJMNGBNLOLPQI-RMKNXTFCSA-N -1 3 256.276 3.736 20 30 CHEDHM CC[C@@H](CC(F)F)C(=O)N([O-])CCCCc1ccccc1 ZINC001649052233 1118274949 /nfs/dbraw/zinc/27/49/49/1118274949.db2.gz UYDQKZBGZFRZAK-AWEZNQCLSA-N -1 3 299.361 3.909 20 30 CHEDHM CCCCCCN([O-])C(=O)CC(C)(C)CC(F)F ZINC001649057362 1118284031 /nfs/dbraw/zinc/28/40/31/1118284031.db2.gz WZLZIXLSLTWNOL-UHFFFAOYSA-N -1 3 265.344 3.856 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001649056898 1118284141 /nfs/dbraw/zinc/28/41/41/1118284141.db2.gz KLFWUFAEDKZYSM-LBPRGKRZSA-N -1 3 281.400 3.574 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCc2ccccc21 ZINC001649057007 1118284285 /nfs/dbraw/zinc/28/42/85/1118284285.db2.gz OFXKAGXXQFROCJ-INIZCTEOSA-N -1 3 275.392 3.905 20 30 CHEDHM CCc1ccccc1NN=C(C)c1ccc([O-])c(F)c1 ZINC000728425625 1118927105 /nfs/dbraw/zinc/92/71/05/1118927105.db2.gz KFIHJABVQBHMLI-UHFFFAOYSA-N -1 3 272.323 3.930 20 30 CHEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2C)ccc1[O-] ZINC000255536646 1119189129 /nfs/dbraw/zinc/18/91/29/1119189129.db2.gz UFIOQPLKOPZIQK-DAXSKMNVSA-N -1 3 286.302 3.744 20 30 CHEDHM Cc1sc(Nc2cc(F)c([O-])c(F)c2)c(C#N)c1C ZINC001213373704 1119218805 /nfs/dbraw/zinc/21/88/05/1119218805.db2.gz ULZLYYUGSWUVSY-UHFFFAOYSA-N -1 3 280.299 3.964 20 30 CHEDHM N#Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255833871 1119751777 /nfs/dbraw/zinc/75/17/77/1119751777.db2.gz DHMWWHFJSYAUIJ-UHFFFAOYSA-N -1 3 256.692 3.668 20 30 CHEDHM C=CC[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000628489736 1128867015 /nfs/dbraw/zinc/86/70/15/1128867015.db2.gz FUQUQHZHRHMYAX-CYBMUJFWSA-N -1 3 273.376 3.554 20 30 CHEDHM N#Cc1c(F)c(F)cc(Nc2ccc([O-])c(F)c2)c1F ZINC001174739229 1121017739 /nfs/dbraw/zinc/01/77/39/1121017739.db2.gz RJDBRYKBMNVSNS-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM Cc1cc(C)c(Nc2ccc([O-])c(F)c2)cc1C#N ZINC001174740551 1121018878 /nfs/dbraw/zinc/01/88/78/1121018878.db2.gz NEOHIJIQZXQMKM-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3c(c2)CCCC3=O)c1 ZINC001213104745 1121113016 /nfs/dbraw/zinc/11/30/16/1121113016.db2.gz BLHJYLDIFGTKJY-UHFFFAOYSA-N -1 3 278.311 3.526 20 30 CHEDHM CCOc1cc(Nc2cc(C#N)ccc2[O-])c(F)cc1F ZINC001212531830 1121233204 /nfs/dbraw/zinc/23/32/04/1121233204.db2.gz VLVQQQBUROSESC-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM CCOc1cc(F)c(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001211803377 1121602057 /nfs/dbraw/zinc/60/20/57/1121602057.db2.gz HEELPZFJDHEGNO-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1[O-] ZINC000727973687 1121757581 /nfs/dbraw/zinc/75/75/81/1121757581.db2.gz WYDIUACMMKIHNY-UHFFFAOYSA-N -1 3 299.330 3.753 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cccc(C)c2C)ccc1[O-] ZINC000731157617 1121850921 /nfs/dbraw/zinc/85/09/21/1121850921.db2.gz XOGOPMGQTHIFPB-VQHVLOKHSA-N -1 3 282.339 3.914 20 30 CHEDHM CCc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)s1 ZINC000731156768 1121851066 /nfs/dbraw/zinc/85/10/66/1121851066.db2.gz LNTCHFJZRXTDJK-CLFYSBASSA-N -1 3 288.368 3.921 20 30 CHEDHM CCCCN([O-])C(=O)COc1cc(C)ccc1C(C)C ZINC001184314769 1122266980 /nfs/dbraw/zinc/26/69/80/1122266980.db2.gz JPDCXGLDMRKAFJ-UHFFFAOYSA-N -1 3 279.380 3.515 20 30 CHEDHM CCCCN([O-])C(=O)CCc1ccc2ccccc2c1 ZINC001184314858 1122268600 /nfs/dbraw/zinc/26/86/00/1122268600.db2.gz NPTNKRLLVQFKNW-UHFFFAOYSA-N -1 3 271.360 3.790 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001184315204 1122268702 /nfs/dbraw/zinc/26/87/02/1122268702.db2.gz UPUIGNLZZHNSKJ-DOTOQJQBSA-N -1 3 275.392 3.762 20 30 CHEDHM CC(C)CCCC(=O)N([O-])Cc1ccccc1Cl ZINC001184283518 1122269028 /nfs/dbraw/zinc/26/90/28/1122269028.db2.gz MVFVIWFDQCGOGS-UHFFFAOYSA-N -1 3 269.772 3.884 20 30 CHEDHM O=C(C[C@H]1CC=CCC1)N([O-])Cc1ccccc1Cl ZINC001184293576 1122269888 /nfs/dbraw/zinc/26/98/88/1122269888.db2.gz ZBXFLOVJMAMUHD-LBPRGKRZSA-N -1 3 279.767 3.804 20 30 CHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]/C=C/CC)c(F)c1F ZINC001186736837 1122405897 /nfs/dbraw/zinc/40/58/97/1122405897.db2.gz CLMBQEPBZPCVQD-FNORWQNLSA-N -1 3 287.256 3.625 20 30 CHEDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(C#N)c2)CC)n1 ZINC000435336874 1122459533 /nfs/dbraw/zinc/45/95/33/1122459533.db2.gz RMEPRPURFQCTCB-GDNBJRDFSA-N -1 3 293.370 3.957 20 30 CHEDHM Cc1noc([N-]C(=O)Nc2ccc3ccccc3c2)c1C#N ZINC001188576382 1122468238 /nfs/dbraw/zinc/46/82/38/1122468238.db2.gz IDZNQRLEOSKQFV-UHFFFAOYSA-N -1 3 292.298 3.652 20 30 CHEDHM C=C(C)CN(CC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436742918 1122577290 /nfs/dbraw/zinc/57/72/90/1122577290.db2.gz WHNXXFOXVPXIOH-UHFFFAOYSA-N -1 3 261.365 3.554 20 30 CHEDHM C=CCCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436847403 1122587762 /nfs/dbraw/zinc/58/77/62/1122587762.db2.gz JXRJDBGSPYWDBA-UHFFFAOYSA-N -1 3 295.382 3.631 20 30 CHEDHM CCCc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)ccc1F ZINC001191983221 1122622141 /nfs/dbraw/zinc/62/21/41/1122622141.db2.gz NQNPVCIBPBALIW-UHFFFAOYSA-N -1 3 298.317 3.608 20 30 CHEDHM Cc1noc([N-]C(=O)Nc2ccc3sccc3c2)c1C#N ZINC001192418318 1122644102 /nfs/dbraw/zinc/64/41/02/1122644102.db2.gz MPSILBIMYIXEIM-UHFFFAOYSA-N -1 3 298.327 3.713 20 30 CHEDHM N#Cc1ccc([O-])c(NC2=CC[C@@H](C(F)(F)F)CC2)c1 ZINC001197295326 1122950103 /nfs/dbraw/zinc/95/01/03/1122950103.db2.gz MTVDLHKAQOPFJZ-SNVBAGLBSA-N -1 3 282.265 3.922 20 30 CHEDHM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000007333194 1123249151 /nfs/dbraw/zinc/24/91/51/1123249151.db2.gz FYCKSILJZIAITB-AVMBBCFPSA-N -1 3 298.313 3.923 20 30 CHEDHM CO[C@H](C/N=C/c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000852998178 1123417578 /nfs/dbraw/zinc/41/75/78/1123417578.db2.gz IAYPGIZSSVNJDP-GFHWABCWSA-N -1 3 281.783 3.670 20 30 CHEDHM CC(C)[C@@H](C#N)Oc1ccc(-c2ccc(=O)[n-]c2F)cc1 ZINC000854190060 1123474394 /nfs/dbraw/zinc/47/43/94/1123474394.db2.gz UWZWTCSUDQGZRT-CQSZACIVSA-N -1 3 286.306 3.520 20 30 CHEDHM C=CC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000855436869 1123521008 /nfs/dbraw/zinc/52/10/08/1123521008.db2.gz MQJFHTFWZCZPNN-CQSZACIVSA-N -1 3 295.382 3.974 20 30 CHEDHM CCOC1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000840707519 1123674218 /nfs/dbraw/zinc/67/42/18/1123674218.db2.gz WCEMAYIUWDEIDR-LICLKQGHSA-N -1 3 281.783 3.814 20 30 CHEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])OCC1CC1 ZINC000840711723 1123722885 /nfs/dbraw/zinc/72/28/85/1123722885.db2.gz RZYIAZSWLRWJKO-CAOOACKPSA-N -1 3 281.783 3.670 20 30 CHEDHM CCC[C@H](CN=Nc1nc2ccccc2[n-]c1=S)OC ZINC000863125156 1123846468 /nfs/dbraw/zinc/84/64/68/1123846468.db2.gz OGGPTYXSPJSTCT-SNVBAGLBSA-N -1 3 290.392 3.505 20 30 CHEDHM FC(F)C1CC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863128347 1123847641 /nfs/dbraw/zinc/84/76/41/1123847641.db2.gz LBFBPGCYDVTHQO-UHFFFAOYSA-N -1 3 294.330 3.735 20 30 CHEDHM CSCCON=C(C)c1ccc2ccccc2c1[O-] ZINC000794574359 1123904432 /nfs/dbraw/zinc/90/44/32/1123904432.db2.gz DFUJRIOBDPJTID-UHFFFAOYSA-N -1 3 275.373 3.649 20 30 CHEDHM C[C@@H](NC1(c2ccccc2F)CC1)c1cccc(C#N)c1[O-] ZINC000866319823 1124052311 /nfs/dbraw/zinc/05/23/11/1124052311.db2.gz CHOWNLABDFYTBS-GFCCVEGCSA-N -1 3 296.345 3.743 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)ccc1O ZINC000794934240 1124085271 /nfs/dbraw/zinc/08/52/71/1124085271.db2.gz HPCYHUXFPYNDGH-UTCJRWHESA-N -1 3 290.265 3.581 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cc(F)ccc1F ZINC000794937138 1124086060 /nfs/dbraw/zinc/08/60/60/1124086060.db2.gz FVEFNNYLYIDALO-GORDUTHDSA-N -1 3 296.219 3.845 20 30 CHEDHM Cc1nnc(-c2ccc(-c3cc(/C=N/[O-])ccc3F)cc2)o1 ZINC001239021377 1131290841 /nfs/dbraw/zinc/29/08/41/1131290841.db2.gz VHQUTRCYHVKFJP-GIJQJNRQSA-N -1 3 297.289 3.659 20 30 CHEDHM C[Si](C)(C)C#Cc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240783231 1129349112 /nfs/dbraw/zinc/34/91/12/1129349112.db2.gz PQLNWPFPKUXBKA-UHFFFAOYSA-N -1 3 285.394 3.822 20 30 CHEDHM CCCCCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248238708 1129410974 /nfs/dbraw/zinc/41/09/74/1129410974.db2.gz DDOPGTSCLZFQJA-UHFFFAOYSA-N -1 3 292.305 3.513 20 30 CHEDHM CCCCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248238708 1129410976 /nfs/dbraw/zinc/41/09/76/1129410976.db2.gz DDOPGTSCLZFQJA-UHFFFAOYSA-N -1 3 292.305 3.513 20 30 CHEDHM Cc1ncsc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000742432410 1129479462 /nfs/dbraw/zinc/47/94/62/1129479462.db2.gz WBUPFPCHIJBQOX-AJQDLKILSA-N -1 3 289.331 3.680 20 30 CHEDHM CCOc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001239564230 1131389026 /nfs/dbraw/zinc/38/90/26/1131389026.db2.gz BHVFOTZVXMKLLV-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM N#CCOc1ccccc1Nc1nc2c(cccc2[O-])s1 ZINC001212596340 1129762576 /nfs/dbraw/zinc/76/25/76/1129762576.db2.gz OOJXVNYECHZMBK-UHFFFAOYSA-N -1 3 297.339 3.648 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCC12CCOCC2 ZINC000800722155 1129886243 /nfs/dbraw/zinc/88/62/43/1129886243.db2.gz XGNXNAPHXGWYPB-CLXYIWAZSA-N -1 3 293.794 3.814 20 30 CHEDHM CC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCCC1 ZINC000901372159 1129917194 /nfs/dbraw/zinc/91/71/94/1129917194.db2.gz SNMOKQLWCRHYCI-UHFFFAOYSA-N -1 3 279.355 3.904 20 30 CHEDHM COC1(CC(=O)N([O-])Cc2cccc3ccccc32)CCC1 ZINC000901371162 1129917604 /nfs/dbraw/zinc/91/76/04/1129917604.db2.gz NUMPXEBAPQHKNK-UHFFFAOYSA-N -1 3 299.370 3.517 20 30 CHEDHM C[C@H]1CCCC[C@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374277 1129918066 /nfs/dbraw/zinc/91/80/66/1129918066.db2.gz HWDGBGQPIQSBNV-JSGCOSHPSA-N -1 3 279.355 3.760 20 30 CHEDHM C[C@@H]1CCCC[C@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374278 1129918277 /nfs/dbraw/zinc/91/82/77/1129918277.db2.gz HWDGBGQPIQSBNV-OCCSQVGLSA-N -1 3 279.355 3.760 20 30 CHEDHM O=C(C1[C@H]2CCCCCC[C@H]12)N([O-])Cc1ccc(F)cc1 ZINC000901376067 1129918324 /nfs/dbraw/zinc/91/83/24/1129918324.db2.gz OSCOGSOJSZVHJD-GJZGRUSLSA-N -1 3 291.366 3.760 20 30 CHEDHM CCCCNC(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001239989279 1130183423 /nfs/dbraw/zinc/18/34/23/1130183423.db2.gz LWPRJAYAXWEHNK-UHFFFAOYSA-N -1 3 296.370 3.692 20 30 CHEDHM C#CCC1(C(=O)Nc2cc(Cl)ccc2[O-])CCCCC1 ZINC000788513503 1130192598 /nfs/dbraw/zinc/19/25/98/1130192598.db2.gz QCISSNCLCMQNNR-UHFFFAOYSA-N -1 3 291.778 3.958 20 30 CHEDHM Cc1cc2n[nH]cc2cc1N=Cc1cc(Cl)ccc1[O-] ZINC000790100557 1130291068 /nfs/dbraw/zinc/29/10/68/1130291068.db2.gz WWXAFGKQXBQJLH-UHFFFAOYSA-N -1 3 285.734 3.981 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1F ZINC001240563247 1130360867 /nfs/dbraw/zinc/36/08/67/1130360867.db2.gz GOXLUVZLFNUMIA-VXLYETTFSA-N -1 3 281.290 3.691 20 30 CHEDHM CC(C)OC(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001240947561 1130529671 /nfs/dbraw/zinc/52/96/71/1130529671.db2.gz UHISXBPAPUAJKE-WOJGMQOQSA-N -1 3 283.327 3.727 20 30 CHEDHM C#C[C@H](CC(C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234262597 1130625356 /nfs/dbraw/zinc/62/53/56/1130625356.db2.gz AUELHIXLMPQQIA-SECBINFHSA-N -1 3 256.704 3.611 20 30 CHEDHM CC(=NOCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000758149202 1130601481 /nfs/dbraw/zinc/60/14/81/1130601481.db2.gz ZRQOZWSSZOMUFZ-UHFFFAOYSA-N -1 3 277.270 3.611 20 30 CHEDHM Cc1ccc2c(c1)CC[C@@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234141885 1130611083 /nfs/dbraw/zinc/61/10/83/1130611083.db2.gz RFVIMYIBIWBCIR-KRWDZBQOSA-N -1 3 265.312 3.639 20 30 CHEDHM Cc1ccccc1[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144193 1130611384 /nfs/dbraw/zinc/61/13/84/1130611384.db2.gz KNESOZWGMSREHR-LBPRGKRZSA-N -1 3 253.301 3.712 20 30 CHEDHM Cc1cccc2c1[C@H](Oc1cc([O-])cc(C#N)c1)CC2 ZINC001234142450 1130611437 /nfs/dbraw/zinc/61/14/37/1130611437.db2.gz VMPKCZPWOSUPRC-MRXNPFEDSA-N -1 3 265.312 3.639 20 30 CHEDHM Cc1cccc([C@H](C)Oc2cc([O-])cc(C#N)c2)c1 ZINC001234144198 1130611451 /nfs/dbraw/zinc/61/14/51/1130611451.db2.gz KQTWFONTLSOJEI-LBPRGKRZSA-N -1 3 253.301 3.712 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234140878 1130611503 /nfs/dbraw/zinc/61/15/03/1130611503.db2.gz KWNODNSYLKZTCP-WMLDXEAASA-N -1 3 269.344 3.944 20 30 CHEDHM C[C@H](C#C[Si](C)(C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234262411 1130625801 /nfs/dbraw/zinc/62/58/01/1130625801.db2.gz AMRVGRGRRNAXFK-SECBINFHSA-N -1 3 286.806 3.833 20 30 CHEDHM C=C[C@@H](CCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693276 1130673265 /nfs/dbraw/zinc/67/32/65/1130673265.db2.gz VPUSGJSDEXSGPO-ZDUSSCGKSA-N -1 3 270.332 3.583 20 30 CHEDHM CC(=NOCCOC(C)C)c1cc(Cl)cc(C)c1[O-] ZINC000812238841 1130677987 /nfs/dbraw/zinc/67/79/87/1130677987.db2.gz GENXJWBNSHDLLM-UHFFFAOYSA-N -1 3 285.771 3.520 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc3ccsc3[n-]2)O1 ZINC001234846931 1130681064 /nfs/dbraw/zinc/68/10/64/1130681064.db2.gz FAZBAPDSCLIYHL-NHYWBVRUSA-N -1 3 292.404 3.906 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2scnc2C2CC2)ccc1[O-] ZINC000782327566 1130772503 /nfs/dbraw/zinc/77/25/03/1130772503.db2.gz RQHQVBNJVOOJFN-SREVYHEPSA-N -1 3 285.368 3.931 20 30 CHEDHM N#CC1(c2ccnc(-c3cc([O-])cc(Cl)c3)c2)CC1 ZINC001235901961 1130798927 /nfs/dbraw/zinc/79/89/27/1130798927.db2.gz ZTGZYOXSXOKXCQ-UHFFFAOYSA-N -1 3 270.719 3.663 20 30 CHEDHM C=CCC1(C(=O)[N-]OCc2ccc(F)cc2)CCCC1 ZINC000828407630 1131489568 /nfs/dbraw/zinc/48/95/68/1131489568.db2.gz GGJKUCQTGSCBCU-UHFFFAOYSA-N -1 3 277.339 3.510 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000846550155 1131713325 /nfs/dbraw/zinc/71/33/25/1131713325.db2.gz LFZVUQKSWRXWII-VIFPVBQESA-N -1 3 288.174 3.548 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000846536054 1131714444 /nfs/dbraw/zinc/71/44/44/1131714444.db2.gz QNPULELGMDNUOP-HZPDHXFCSA-N -1 3 297.439 3.766 20 30 CHEDHM C=CC(C=C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228135367 1131816453 /nfs/dbraw/zinc/81/64/53/1131816453.db2.gz ZKMDEFVHYPFMEW-UHFFFAOYSA-N -1 3 260.333 3.667 20 30 CHEDHM C=CCC[C@@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228621522 1131922352 /nfs/dbraw/zinc/92/23/52/1131922352.db2.gz BMBLGFCMZBMIJP-GFCCVEGCSA-N -1 3 288.343 3.931 20 30 CHEDHM C=C[C@@H](CCCCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228686676 1131933600 /nfs/dbraw/zinc/93/36/00/1131933600.db2.gz PZLBSCLICPHVCM-NSHDSACASA-N -1 3 280.324 3.518 20 30 CHEDHM C=C[C@H](CCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228856213 1131967985 /nfs/dbraw/zinc/96/79/85/1131967985.db2.gz ZMQCRUDBGDYTDT-GFCCVEGCSA-N -1 3 260.333 3.645 20 30 CHEDHM C=CCN(C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001141357509 1132099026 /nfs/dbraw/zinc/09/90/26/1132099026.db2.gz SVTCWXPAEMLDSQ-UHFFFAOYSA-N -1 3 281.355 3.670 20 30 CHEDHM C/C(=N\[O-])c1ccccc1O[C@@H]1CCc2ccccc21 ZINC001229738563 1132112555 /nfs/dbraw/zinc/11/25/55/1132112555.db2.gz MMSZWZNXZLYFGE-YPOUMIDOSA-N -1 3 267.328 3.951 20 30 CHEDHM C#C[C@@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229933569 1132134236 /nfs/dbraw/zinc/13/42/36/1132134236.db2.gz RAVQYISDIJLBRN-RNEAKCBISA-N -1 3 265.312 3.543 20 30 CHEDHM [O-]c1ccccc1/N=C/c1ccccc1OC1CC1 ZINC001229937301 1132134352 /nfs/dbraw/zinc/13/43/52/1132134352.db2.gz LERYXCOQDJAMQK-GZTJUZNOSA-N -1 3 253.301 3.684 20 30 CHEDHM CCCCCCC[C@H](CC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172349326 1132181785 /nfs/dbraw/zinc/18/17/85/1132181785.db2.gz AJDIDYBFNRPCRE-AWEZNQCLSA-N -1 3 293.388 3.673 20 30 CHEDHM CCCCCCC[C@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001172508406 1132255414 /nfs/dbraw/zinc/25/54/14/1132255414.db2.gz KHRJQTZKPIWSMM-GJZGRUSLSA-N -1 3 279.428 3.503 20 30 CHEDHM CCCN(CCC#N)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231523441 1132313689 /nfs/dbraw/zinc/31/36/89/1132313689.db2.gz WIJZMKSCKVFZSO-UHFFFAOYSA-N -1 3 286.297 3.537 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233677893 1132662256 /nfs/dbraw/zinc/66/22/56/1132662256.db2.gz PMJRITOBAUDGKJ-ACJLOTCBSA-N -1 3 284.355 3.942 20 30 CHEDHM C=C[C@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccccc1 ZINC001233807157 1132682850 /nfs/dbraw/zinc/68/28/50/1132682850.db2.gz NSAWVAVHKVDNIU-BRFSQIRFSA-N -1 3 283.327 3.809 20 30 CHEDHM C=CCC[C@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233806987 1132683255 /nfs/dbraw/zinc/68/32/55/1132683255.db2.gz KZPQYEPSCWVDCQ-XDUBLRSXSA-N -1 3 263.337 3.627 20 30 CHEDHM O=C([C@@H]1CC=CCC1)N([O-])CCCCc1ccccc1 ZINC001161807131 1133030139 /nfs/dbraw/zinc/03/01/39/1133030139.db2.gz CYEQRMKHAUKJAP-MRXNPFEDSA-N -1 3 273.376 3.583 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1c[nH]c2c1cccc2C ZINC001161827180 1133031856 /nfs/dbraw/zinc/03/18/56/1133031856.db2.gz WYPMFRDEOIDQOR-UHFFFAOYSA-N -1 3 288.391 3.817 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1ccc(F)c(Cl)c1 ZINC001161826995 1133032121 /nfs/dbraw/zinc/03/21/21/1133032121.db2.gz RVEOPJQAQDFXDX-UHFFFAOYSA-N -1 3 287.762 3.820 20 30 CHEDHM Cc1csc(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001161819798 1133032273 /nfs/dbraw/zinc/03/22/73/1133032273.db2.gz WJESTSZLHXHMQH-UHFFFAOYSA-N -1 3 289.400 3.911 20 30 CHEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)c(Cl)c1 ZINC001206798104 1133749311 /nfs/dbraw/zinc/74/93/11/1133749311.db2.gz AQYZDPYAKXZKEO-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1ccc(Nc2cc(Cl)c(Cl)cc2[O-])cn1 ZINC001209615516 1134043273 /nfs/dbraw/zinc/04/32/73/1134043273.db2.gz GBJFSWSRXVTQJI-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM CC(C)Oc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1 ZINC001209839218 1134076148 /nfs/dbraw/zinc/07/61/48/1134076148.db2.gz QWRWMORCTMXLHH-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM COc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1Cl ZINC001210532941 1134241220 /nfs/dbraw/zinc/24/12/20/1134241220.db2.gz QTSXICDAPCOTKW-UHFFFAOYSA-N -1 3 292.697 3.809 20 30 CHEDHM CC(C)(C#N)c1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001210851593 1134311383 /nfs/dbraw/zinc/31/13/83/1134311383.db2.gz FGYXPJNPAAAPJC-UHFFFAOYSA-N -1 3 287.750 3.985 20 30 CHEDHM N#Cc1ccc(Nc2cccc(C(F)(F)F)c2[O-])c(N)c1 ZINC001213367765 1134444470 /nfs/dbraw/zinc/44/44/70/1134444470.db2.gz JOHFONPFIGQLST-UHFFFAOYSA-N -1 3 293.248 3.608 20 30 CHEDHM N#CCc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001213390696 1134446943 /nfs/dbraw/zinc/44/69/43/1134446943.db2.gz PJFGHZOADLDMCT-UHFFFAOYSA-N -1 3 278.233 3.619 20 30 CHEDHM CCOc1cc(Nc2cc(C#N)ccc2[O-])ccc1C ZINC001214328298 1134529879 /nfs/dbraw/zinc/52/98/79/1134529879.db2.gz WNWLEMJXPSVWLC-UHFFFAOYSA-N -1 3 268.316 3.715 20 30 CHEDHM CCCOc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1 ZINC001215490990 1134632898 /nfs/dbraw/zinc/63/28/98/1134632898.db2.gz CATRMEYFQJUBDN-UHFFFAOYSA-N -1 3 286.306 3.935 20 30 CHEDHM Cc1ccc(C#N)cc1Nc1cc(C)c(F)c([O-])c1 ZINC001216080890 1134770498 /nfs/dbraw/zinc/77/04/98/1134770498.db2.gz NJUGTJVQBKTGLK-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM C=CC[C@@H](CCCC)Oc1ccc2c([O-])coc2c1 ZINC001225341053 1135547855 /nfs/dbraw/zinc/54/78/55/1135547855.db2.gz WSXFTOVROGAWQM-LBPRGKRZSA-N -1 3 260.333 3.775 20 30 CHEDHM CC[C@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1F ZINC001225470657 1135571568 /nfs/dbraw/zinc/57/15/68/1135571568.db2.gz YAEPRJALDNFRGC-HNNXBMFYSA-N -1 3 286.306 3.637 20 30 CHEDHM C=C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225577149 1135589527 /nfs/dbraw/zinc/58/95/27/1135589527.db2.gz UCHQNGJYRGDSKN-NSHDSACASA-N -1 3 296.248 3.507 20 30 CHEDHM C=CCC(CC=C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225853489 1135630192 /nfs/dbraw/zinc/63/01/92/1135630192.db2.gz RFZLDCCIVVQTSN-UHFFFAOYSA-N -1 3 290.310 3.684 20 30 CHEDHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccccc2C#N)c1 ZINC001225995451 1135649518 /nfs/dbraw/zinc/64/95/18/1135649518.db2.gz RLCBLCZATRJNHZ-LBPRGKRZSA-N -1 3 281.311 3.606 20 30 CHEDHM C=C[C@@H](C#CC(C)(C)C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225994076 1135649742 /nfs/dbraw/zinc/64/97/42/1135649742.db2.gz KPWBVBGAWGURQT-AWEZNQCLSA-N -1 3 272.344 3.578 20 30 CHEDHM C=C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226600420 1135717894 /nfs/dbraw/zinc/71/78/94/1135717894.db2.gz WXNSXCYENKZTRD-OAHLLOKOSA-N -1 3 294.306 3.805 20 30 CHEDHM N#C[C@H](Oc1cccc([O-])c1Cl)c1ccccc1 ZINC001226712273 1135733032 /nfs/dbraw/zinc/73/30/32/1135733032.db2.gz QWTHWPYVRJXIFX-ZDUSSCGKSA-N -1 3 259.692 3.689 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001227346135 1135823373 /nfs/dbraw/zinc/82/33/73/1135823373.db2.gz RUOMHEUNNDLYHG-CQSZACIVSA-N -1 3 293.244 3.946 20 30 CHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1F ZINC001227345977 1135823879 /nfs/dbraw/zinc/82/38/79/1135823879.db2.gz QNBSSCKLDUVYBV-SNVBAGLBSA-N -1 3 257.264 3.543 20 30 CHEDHM N#CC(=C([O-])c1cc(F)c2ccccc2c1)c1ccccn1 ZINC000344728824 225144089 /nfs/dbraw/zinc/14/40/89/225144089.db2.gz DKYJBDNXLDNYDV-OAHLLOKOSA-N -1 3 290.297 3.864 20 30 CHEDHM [O-]c1ccccc1/C=N/[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000154234044 261089271 /nfs/dbraw/zinc/08/92/71/261089271.db2.gz VQHJXYNTPSJJGW-CYJQLDTJSA-N -1 3 281.355 3.731 20 30 CHEDHM CC(C)(C)c1cc([N-]C(=O)c2ccco2)c(C#N)s1 ZINC000154264096 261089705 /nfs/dbraw/zinc/08/97/05/261089705.db2.gz FXPHXHSVHRIWMA-UHFFFAOYSA-N -1 3 274.345 3.763 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(Cl)c2)n1 ZINC000103329121 261280192 /nfs/dbraw/zinc/28/01/92/261280192.db2.gz WDMPEIRVQJTRGG-NSHDSACASA-N -1 3 290.775 3.903 20 30 CHEDHM [O-]c1ccccc1/C=N/C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192398492 262202518 /nfs/dbraw/zinc/20/25/18/262202518.db2.gz ZGUGRSCKFYGCKP-ZWILPSFYSA-N -1 3 281.355 3.589 20 30 CHEDHM CC(C)CC(CC(C)C)NC(=O)c1csc(=O)[n-]1 ZINC000331020054 264098110 /nfs/dbraw/zinc/09/81/10/264098110.db2.gz XFNPHVFYXVELTJ-UHFFFAOYSA-N -1 3 270.398 3.614 20 30 CHEDHM CC(C)(C)c1csc([N-]C(=O)c2ccc(C#N)o2)c1C#N ZINC000334566832 265051863 /nfs/dbraw/zinc/05/18/63/265051863.db2.gz QQKIBOBRRBRYPS-UHFFFAOYSA-N -1 3 299.355 3.634 20 30 CHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)c(Cl)c1 ZINC000417622903 328518677 /nfs/dbraw/zinc/51/86/77/328518677.db2.gz HXVUGMHBMOZDKA-SNVBAGLBSA-N -1 3 288.174 3.502 20 30 CHEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(CC)c1 ZINC000557422425 327004769 /nfs/dbraw/zinc/00/47/69/327004769.db2.gz WXPDVVGADVBMNI-UHFFFAOYSA-N -1 3 295.382 3.783 20 30 CHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000184551017 329259793 /nfs/dbraw/zinc/25/97/93/329259793.db2.gz KHIAULFBQIZICM-LLVKDONJSA-N -1 3 270.357 3.757 20 30 CHEDHM CCN(Cc1cc([O-])cc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000186186162 329339022 /nfs/dbraw/zinc/33/90/22/329339022.db2.gz AETSXGVKZRUHKH-ZDUSSCGKSA-N -1 3 298.361 3.986 20 30 CHEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000189033585 329374953 /nfs/dbraw/zinc/37/49/53/329374953.db2.gz MEUCNJHVUKHRMU-ZDUSSCGKSA-N -1 3 298.180 3.696 20 30 CHEDHM CC(C)c1ccsc1C([O-])=C(C#N)c1ccccn1 ZINC000049004989 329633816 /nfs/dbraw/zinc/63/38/16/329633816.db2.gz YMLJLGQTNAOXQX-LBPRGKRZSA-N -1 3 270.357 3.757 20 30 CHEDHM Cc1c2cccc(C)c2oc1C([O-])=C(C#N)c1ccccn1 ZINC000066507128 329848916 /nfs/dbraw/zinc/84/89/16/329848916.db2.gz ZFVGJJPROOELRP-AWEZNQCLSA-N -1 3 290.322 3.935 20 30 CHEDHM C=C(C)CCc1noc(-c2ccc(CC)cc2[O-])n1 ZINC000436883110 330687660 /nfs/dbraw/zinc/68/76/60/330687660.db2.gz ZAEUZYHRBRCFRK-UHFFFAOYSA-N -1 3 258.321 3.513 20 30 CHEDHM C=CCCS(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000472790141 331543304 /nfs/dbraw/zinc/54/33/04/331543304.db2.gz QGVYYXJRRNBVFL-UHFFFAOYSA-N -1 3 293.413 3.733 20 30 CHEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000488703586 332022155 /nfs/dbraw/zinc/02/21/55/332022155.db2.gz QHJXYUHANBSJGB-GFCCVEGCSA-N -1 3 299.399 3.744 20 30 CHEDHM Cc1oc2ccccc2c1C([O-])=C(C#N)c1ccccn1 ZINC000186198025 333156718 /nfs/dbraw/zinc/15/67/18/333156718.db2.gz WFRRDODYHLFSJR-CYBMUJFWSA-N -1 3 276.295 3.626 20 30 CHEDHM N#Cc1ccsc1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000548848319 334176111 /nfs/dbraw/zinc/17/61/11/334176111.db2.gz OWJPWWKALPFLAW-UHFFFAOYSA-N -1 3 287.344 3.518 20 30 CHEDHM C=CCCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413219 599326861 /nfs/dbraw/zinc/32/68/61/599326861.db2.gz QDUDRERNWMWPNM-LLVKDONJSA-N -1 3 274.393 3.627 20 30 CHEDHM C=CCCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413219 599326858 /nfs/dbraw/zinc/32/68/58/599326858.db2.gz QDUDRERNWMWPNM-LLVKDONJSA-N -1 3 274.393 3.627 20 30 CHEDHM Cc1cc(C#N)c([N-]C(=O)c2nc(C(C)C)cs2)s1 ZINC001193501293 1122695126 /nfs/dbraw/zinc/69/51/26/1122695126.db2.gz WSIXRUGXQLJTHN-UHFFFAOYSA-N -1 3 291.401 3.760 20 30 CHEDHM Cc1csc(Nc2ccc([O-])c(F)c2F)c1C#N ZINC001211997645 1125619732 /nfs/dbraw/zinc/61/97/32/1125619732.db2.gz DCZZVLLUPMDXLH-UHFFFAOYSA-N -1 3 266.272 3.656 20 30 CHEDHM C#Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001212016454 1125653645 /nfs/dbraw/zinc/65/36/45/1125653645.db2.gz QUMYNYISWCNGCA-UHFFFAOYSA-N -1 3 263.218 3.534 20 30 CHEDHM C=C(Cl)CN[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646877 1130197597 /nfs/dbraw/zinc/19/75/97/1130197597.db2.gz TUJOWGBNAVVBKM-MRVPVSSYSA-N -1 3 279.689 3.814 20 30 CHEDHM N#CC(=C([O-])c1cccs1)c1ccc2ccccc2n1 ZINC000042654295 1126789261 /nfs/dbraw/zinc/78/92/61/1126789261.db2.gz RPWVTYSXARLFTQ-LBPRGKRZSA-N -1 3 278.336 3.786 20 30 CHEDHM CC(C)(C#N)CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394275 1130605852 /nfs/dbraw/zinc/60/58/52/1130605852.db2.gz OKJPIAQCFUKJJG-UHFFFAOYSA-N -1 3 296.779 3.979 20 30 CHEDHM Cc1nc(C)c(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)o1 ZINC000905070712 1126889735 /nfs/dbraw/zinc/88/97/35/1126889735.db2.gz MOJNTFURYNCBDE-LOBLAWFCSA-N -1 3 287.290 3.520 20 30 CHEDHM N#CCC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236795952 1131009139 /nfs/dbraw/zinc/00/91/39/1131009139.db2.gz LAYNDVZAZDWVOZ-UHFFFAOYSA-N -1 3 299.201 3.825 20 30 CHEDHM N#CCC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237082325 1131048178 /nfs/dbraw/zinc/04/81/78/1131048178.db2.gz QVWFRJMZJHSJKF-UHFFFAOYSA-N -1 3 299.201 3.825 20 30 CHEDHM C[C@H](NCc1cccc([O-])c1Cl)c1cccc(C#N)c1 ZINC000590186877 1127250422 /nfs/dbraw/zinc/25/04/22/1127250422.db2.gz RBYYYQWYUANWFR-NSHDSACASA-N -1 3 286.762 3.768 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCC[C@@H]1CCCCO1 ZINC000761015964 1127381442 /nfs/dbraw/zinc/38/14/42/1127381442.db2.gz SUHDWOCAMWVVDL-MPMPPSQCSA-N -1 3 281.783 3.814 20 30 CHEDHM C=CCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596338981 1127495135 /nfs/dbraw/zinc/49/51/35/1127495135.db2.gz DIHIKEWFURHCDA-UHFFFAOYSA-N -1 3 291.351 3.634 20 30 CHEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc(CC)c1[O-] ZINC000539846240 1127946895 /nfs/dbraw/zinc/94/68/95/1127946895.db2.gz RVZASAXNJSDJFV-UHFFFAOYSA-N -1 3 295.382 3.783 20 30 CHEDHM C=C[C@@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234854953 1128248838 /nfs/dbraw/zinc/24/88/38/1128248838.db2.gz ONIUMYFHUBZHNO-GFCCVEGCSA-N -1 3 256.330 3.931 20 30 CHEDHM COc1cc(F)ccc1N=Cc1cc(Cl)ccc1[O-] ZINC000914557869 1128209524 /nfs/dbraw/zinc/20/95/24/1128209524.db2.gz NANBNSJWFUVFSN-UHFFFAOYSA-N -1 3 279.698 3.944 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccc(F)cc1 ZINC000914600455 1128219151 /nfs/dbraw/zinc/21/91/51/1128219151.db2.gz VRLMUTFISIZYIX-ZDLGFXPLSA-N -1 3 293.725 3.683 20 30 CHEDHM CCSc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000153264043 1128221510 /nfs/dbraw/zinc/22/15/10/1128221510.db2.gz LDKUQWCWZZCNEC-AWEZNQCLSA-N -1 3 282.368 3.684 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccsc1 ZINC000914701290 1128231898 /nfs/dbraw/zinc/23/18/98/1128231898.db2.gz DOVBYGOZLYUNJU-OVCLIPMQSA-N -1 3 265.765 3.769 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCC(F)(F)C1 ZINC000763095079 1128350818 /nfs/dbraw/zinc/35/08/18/1128350818.db2.gz ACFHRYBHOCAVBJ-SMUOPJFFSA-N -1 3 259.683 3.652 20 30 CHEDHM N#CCOc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000915983215 1128400524 /nfs/dbraw/zinc/40/05/24/1128400524.db2.gz UEOQSQSQGNJKQB-UHFFFAOYSA-N -1 3 286.718 3.699 20 30 CHEDHM N#C[C@@H]1CC=C(Nc2nc3c(cccc3[O-])s2)CC1 ZINC001212854698 1128599927 /nfs/dbraw/zinc/59/99/27/1128599927.db2.gz KEYCBCCFGKBSNZ-SECBINFHSA-N -1 3 271.345 3.621 20 30 CHEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])oc1C ZINC000570638757 1128628788 /nfs/dbraw/zinc/62/87/88/1128628788.db2.gz GCALMDZFKGEWMG-UHFFFAOYSA-N -1 3 299.370 3.517 20 30 CHEDHM CC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901379278 1128681461 /nfs/dbraw/zinc/68/14/61/1128681461.db2.gz UAPJFWCVRGROFF-INIZCTEOSA-N -1 3 287.334 3.737 20 30 CHEDHM COc1ccccc1CC/N=C\c1cc(Cl)ccc1[O-] ZINC000920944584 1128695890 /nfs/dbraw/zinc/69/58/90/1128695890.db2.gz ZXFBBQRCKTUEIW-WQRHYEAKSA-N -1 3 289.762 3.716 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)ccc1[O-] ZINC000728231576 1118054840 /nfs/dbraw/zinc/05/48/40/1118054840.db2.gz LSTUIFJPFWOUDJ-YVMONPNESA-N -1 3 299.345 3.802 20 30 CHEDHM Cc1cc(C(=O)/C=C/C2=Cc3ccccc3OC2)ccc1[O-] ZINC000728232884 1118061592 /nfs/dbraw/zinc/06/15/92/1118061592.db2.gz XPASNNVXCUIBPS-SOFGYWHQSA-N -1 3 292.334 3.916 20 30 CHEDHM C=CCCC[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000398257264 1118107306 /nfs/dbraw/zinc/10/73/06/1118107306.db2.gz QVZUXWDLELLYHR-SNVBAGLBSA-N -1 3 267.756 3.520 20 30 CHEDHM COc1cc(C(=O)/C=C\c2c(F)cccc2F)ccc1[O-] ZINC000213712783 1118194992 /nfs/dbraw/zinc/19/49/92/1118194992.db2.gz GVUBAYIFSQHUHZ-VURMDHGXSA-N -1 3 290.265 3.575 20 30 CHEDHM O=C(CCc1ccccc1)N([O-])CCCCc1ccccc1 ZINC001649046208 1118266632 /nfs/dbraw/zinc/26/66/32/1118266632.db2.gz MZGGWAFRIDTZGV-UHFFFAOYSA-N -1 3 297.398 3.860 20 30 CHEDHM CSC1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC001649052025 1118273754 /nfs/dbraw/zinc/27/37/54/1118273754.db2.gz PQRQUKRDHNPQEQ-UHFFFAOYSA-N -1 3 293.432 3.513 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1cc(C)cc(C)c1 ZINC001649057336 1118284359 /nfs/dbraw/zinc/28/43/59/1118284359.db2.gz WMURNCOSRGXTQT-UHFFFAOYSA-N -1 3 263.381 3.644 20 30 CHEDHM CCCCN([O-])C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC001649061256 1118294412 /nfs/dbraw/zinc/29/44/12/1118294412.db2.gz JCMYHZUXCAAXCC-LBPRGKRZSA-N -1 3 283.799 3.927 20 30 CHEDHM N#Cc1cc(F)c(Nc2ccc(F)c([O-])c2)c(Cl)c1 ZINC001211220246 1118481483 /nfs/dbraw/zinc/48/14/83/1118481483.db2.gz AGYFRRGYMIDVCR-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cc(C)ccc2F)ccc1[O-] ZINC000255263728 1118538568 /nfs/dbraw/zinc/53/85/68/1118538568.db2.gz NXKUPQGQYFDZGE-DAXSKMNVSA-N -1 3 286.302 3.744 20 30 CHEDHM CC(C)(C)c1cc([N-]C(=O)c2ccc(C#N)o2)c(C#N)s1 ZINC000334554651 1118555416 /nfs/dbraw/zinc/55/54/16/1118555416.db2.gz MBFMBKATUBITBU-UHFFFAOYSA-N -1 3 299.355 3.634 20 30 CHEDHM Cc1ccc(Cl)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255334862 1118642999 /nfs/dbraw/zinc/64/29/99/1118642999.db2.gz HTQTUERJNAWMAG-UHFFFAOYSA-N -1 3 277.707 3.516 20 30 CHEDHM N#CC(=C([O-])c1sccc1C1CC1)c1ccccn1 ZINC000342570113 1119088231 /nfs/dbraw/zinc/08/82/31/1119088231.db2.gz BFGGVFPQWSOAMZ-GFCCVEGCSA-N -1 3 268.341 3.511 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2cc(Cl)ccc2Cl)c1O ZINC000255843072 1119756533 /nfs/dbraw/zinc/75/65/33/1119756533.db2.gz IPBZPBFKGLCWIW-UHFFFAOYSA-N -1 3 298.125 3.861 20 30 CHEDHM CSC1(C/N=C\c2cc(Cl)ccc2[O-])CCC1 ZINC000588610486 1120113632 /nfs/dbraw/zinc/11/36/32/1120113632.db2.gz RONXPGOYQKARFH-NVNXTCNLSA-N -1 3 269.797 3.750 20 30 CHEDHM Cc1cccc(C#N)c1Nc1cc(F)cc(F)c1[O-] ZINC001212487324 1120372836 /nfs/dbraw/zinc/37/28/36/1120372836.db2.gz GPTYCLHDEMGRJG-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000417621741 1120464939 /nfs/dbraw/zinc/46/49/39/1120464939.db2.gz FWIWABAIXZZFQF-JTQLQIEISA-N -1 3 293.750 3.595 20 30 CHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(-c2ccc(C)cc2)o1 ZINC000417628326 1120467482 /nfs/dbraw/zinc/46/74/82/1120467482.db2.gz QWAKWYIHZZIVNK-HNNXBMFYSA-N -1 3 299.370 3.764 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001161826590 1120548896 /nfs/dbraw/zinc/54/88/96/1120548896.db2.gz GTFQBEXRNVKAKP-BTTYYORXSA-N -1 3 253.386 3.611 20 30 CHEDHM CCO[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])C12CCC2 ZINC000125183205 1120710832 /nfs/dbraw/zinc/71/08/32/1120710832.db2.gz XQBZVTFWNPBQRA-NUUDIBSWSA-N -1 3 293.794 3.812 20 30 CHEDHM CC(C)(C)c1noc(Nc2c(F)cc([O-])cc2F)c1C#N ZINC001175095983 1121184153 /nfs/dbraw/zinc/18/41/53/1121184153.db2.gz SKOFNMYOIFEMCI-UHFFFAOYSA-N -1 3 293.273 3.571 20 30 CHEDHM N#Cc1cc(Cl)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268819 1121269555 /nfs/dbraw/zinc/26/95/55/1121269555.db2.gz XPYADTSHPOGAPE-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM C=C(C)c1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430457 1121321219 /nfs/dbraw/zinc/32/12/19/1121321219.db2.gz RSTRYWGOXPZNCA-UHFFFAOYSA-N -1 3 277.331 3.643 20 30 CHEDHM CC(C)(C)c1noc([N-]c2cnn(C3CCC3)c2)c1C#N ZINC001175760229 1121456193 /nfs/dbraw/zinc/45/61/93/1121456193.db2.gz MMWIAIAQFHAIRF-UHFFFAOYSA-N -1 3 285.351 3.509 20 30 CHEDHM CCCCOc1cccc(F)c1[N-]c1oncc1C#N ZINC001211792866 1121593294 /nfs/dbraw/zinc/59/32/94/1121593294.db2.gz ZBBYWZUTGKRJTN-UHFFFAOYSA-N -1 3 275.283 3.608 20 30 CHEDHM N#Cc1cccc(F)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625056 1121664657 /nfs/dbraw/zinc/66/46/57/1121664657.db2.gz GHRBQMJEXZMWTF-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(OC(F)(F)F)cc2)c1 ZINC001176643406 1121667959 /nfs/dbraw/zinc/66/79/59/1121667959.db2.gz XTMZIAALRFBNGL-UHFFFAOYSA-N -1 3 294.232 3.906 20 30 CHEDHM CC(=NNc1ccc(C)cc1)c1ccc([O-])cc1F ZINC000729931488 1121785111 /nfs/dbraw/zinc/78/51/11/1121785111.db2.gz IJOPIJQDGHRWFM-UHFFFAOYSA-N -1 3 258.296 3.676 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1cccc(F)c1F ZINC000732713822 1121933313 /nfs/dbraw/zinc/93/33/13/1121933313.db2.gz LPGUSSPSAKRPRP-OCKHKDLRSA-N -1 3 295.716 3.985 20 30 CHEDHM CCCCCCN([O-])C(=O)c1sc(CCC)nc1C ZINC001184305329 1122266677 /nfs/dbraw/zinc/26/66/77/1122266677.db2.gz GPDQBUWKLWFHAK-UHFFFAOYSA-N -1 3 284.425 3.816 20 30 CHEDHM CCCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001184349129 1122272675 /nfs/dbraw/zinc/27/26/75/1122272675.db2.gz WILROBVQESVHOX-UHFFFAOYSA-N -1 3 253.317 3.514 20 30 CHEDHM C=CC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000436554525 1122559412 /nfs/dbraw/zinc/55/94/12/1122559412.db2.gz JNZMQIOHMSFNLF-UHFFFAOYSA-N -1 3 273.376 3.554 20 30 CHEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000436539233 1122560642 /nfs/dbraw/zinc/56/06/42/1122560642.db2.gz LGKZQLWYUUUKEY-UHFFFAOYSA-N -1 3 295.382 3.572 20 30 CHEDHM CO[C@@H]1[C@H](C)[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1(C)C ZINC000775629425 1122827921 /nfs/dbraw/zinc/82/79/21/1122827921.db2.gz HOTUNEGUBUWLHI-SEVJEAAQSA-N -1 3 281.783 3.524 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccs1 ZINC000018917350 1123064550 /nfs/dbraw/zinc/06/45/50/1123064550.db2.gz DRERAFXZSPYLHA-LRUQUBRESA-N -1 3 274.316 3.976 20 30 CHEDHM C=CCCC(C)(C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000620856891 1129096737 /nfs/dbraw/zinc/09/67/37/1129096737.db2.gz DYJWIHKDNCOQBM-UHFFFAOYSA-N -1 3 293.382 3.715 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000856034713 1123545372 /nfs/dbraw/zinc/54/53/72/1123545372.db2.gz KOXQDOUCEWJICZ-ZIAGYGMSSA-N -1 3 273.376 3.600 20 30 CHEDHM N#CC1(CCOC(=O)c2cc3occc3[n-]2)CCCCC1 ZINC000840523714 1123577997 /nfs/dbraw/zinc/57/79/97/1123577997.db2.gz OUNJBNLHRBUMMV-UHFFFAOYSA-N -1 3 286.331 3.782 20 30 CHEDHM CC(NN=c1[nH]c2ccccc2[n-]c1=S)=C1CC1(F)F ZINC000863125203 1123846248 /nfs/dbraw/zinc/84/62/48/1123846248.db2.gz PQUWVJVPATUGPT-QMMMGPOBSA-N -1 3 294.330 3.735 20 30 CHEDHM Cc1cc(C)cc(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794484585 1123846856 /nfs/dbraw/zinc/84/68/56/1123846856.db2.gz WGPWLLXVVMFJCX-UHFFFAOYSA-N -1 3 276.286 3.733 20 30 CHEDHM CCCCCC[C@@H](C)NN=Cc1c(F)ccc([O-])c1F ZINC000794515444 1123868219 /nfs/dbraw/zinc/86/82/19/1123868219.db2.gz KKXPIIAOIZLWIG-LLVKDONJSA-N -1 3 284.350 3.953 20 30 CHEDHM CC(=NNCCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000794548079 1123888050 /nfs/dbraw/zinc/88/80/50/1123888050.db2.gz OYBAOKIZHMQQOG-UHFFFAOYSA-N -1 3 296.292 3.811 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000083938222 1129151935 /nfs/dbraw/zinc/15/19/35/1129151935.db2.gz VKDNGKVPMCYLHO-SIFUEBAJSA-N -1 3 299.333 3.519 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CC1(C(F)(F)F)CC1 ZINC000794676014 1123926455 /nfs/dbraw/zinc/92/64/55/1123926455.db2.gz IHKDXZNBTNZSNQ-FMQZQXMHSA-N -1 3 277.673 3.807 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cc(F)cc(F)c1 ZINC000794941728 1124093830 /nfs/dbraw/zinc/09/38/30/1124093830.db2.gz WMABHODRNAWFTB-IWQZZHSRSA-N -1 3 296.219 3.845 20 30 CHEDHM O=C1c2ccc(F)cc2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794942083 1124094597 /nfs/dbraw/zinc/09/45/97/1124094597.db2.gz HLHWJQULMOWPOS-CLFYSBASSA-N -1 3 290.240 3.632 20 30 CHEDHM C[C@H](NCC1(C#N)CCCCC1)c1cccc([O-])c1F ZINC000872089276 1124680393 /nfs/dbraw/zinc/68/03/93/1124680393.db2.gz WELBZEQZIOQSGI-LBPRGKRZSA-N -1 3 276.355 3.656 20 30 CHEDHM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000213219686 1125359292 /nfs/dbraw/zinc/35/92/92/1125359292.db2.gz FYCKSILJZIAITB-QQMDNXKGSA-N -1 3 298.313 3.923 20 30 CHEDHM CCSCc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000125468142 1125448397 /nfs/dbraw/zinc/44/83/97/1125448397.db2.gz BOLOCLOXFZBUQH-OAHLLOKOSA-N -1 3 296.395 3.825 20 30 CHEDHM CC(=NNc1cc(F)c(F)cc1F)c1ccc([O-])cc1F ZINC000734302836 1129300052 /nfs/dbraw/zinc/30/00/52/1129300052.db2.gz QXBCDZUWRDPUNZ-UHFFFAOYSA-N -1 3 298.239 3.785 20 30 CHEDHM Cc1ccc2[nH]c(CN=Cc3cc(Cl)ccc3[O-])nc2c1 ZINC000745975767 1129621060 /nfs/dbraw/zinc/62/10/60/1129621060.db2.gz AVQHTIFZIZDPQA-LSCVHKIXSA-N -1 3 299.761 3.849 20 30 CHEDHM N#CCc1cc2ccccc2c(NCc2ncccc2[O-])c1 ZINC001169735991 1129753470 /nfs/dbraw/zinc/75/34/70/1129753470.db2.gz DYHZKCDPACKPFZ-UHFFFAOYSA-N -1 3 289.338 3.619 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCC2)C1 ZINC000767688127 1129808100 /nfs/dbraw/zinc/80/81/00/1129808100.db2.gz JMWQGPPMUZWMIX-VZWMTCDZSA-N -1 3 279.767 3.566 20 30 CHEDHM N#Cc1cccc(NC(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001202790701 1129843587 /nfs/dbraw/zinc/84/35/87/1129843587.db2.gz MMJBJMKQRBXRFV-UHFFFAOYSA-N -1 3 287.706 3.561 20 30 CHEDHM O=C(C1CCC(C2CC2)CC1)N([O-])Cc1ccc(F)cc1 ZINC000901371913 1129917364 /nfs/dbraw/zinc/91/73/64/1129917364.db2.gz KQRBYGPQTBZOBQ-UHFFFAOYSA-N -1 3 291.366 3.760 20 30 CHEDHM C=C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901371442 1129917569 /nfs/dbraw/zinc/91/75/69/1129917569.db2.gz BYRUGMRUVDEIBS-OAHLLOKOSA-N -1 3 299.345 3.903 20 30 CHEDHM O=C(c1ccc(Cl)cc1F)N([O-])Cc1ccc(F)cc1 ZINC000901376870 1129918237 /nfs/dbraw/zinc/91/82/37/1129918237.db2.gz YYMGUZACZODCDM-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM O=C([C@H]1CC12CC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380221 1129918796 /nfs/dbraw/zinc/91/87/96/1129918796.db2.gz PLDUXDBLAIEJBG-LLVKDONJSA-N -1 3 286.158 3.511 20 30 CHEDHM CC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000901379241 1129918841 /nfs/dbraw/zinc/91/88/41/1129918841.db2.gz XVIFMQNZTOPHEW-UHFFFAOYSA-N -1 3 288.174 3.901 20 30 CHEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901378314 1129919032 /nfs/dbraw/zinc/91/90/32/1129919032.db2.gz GFPWQZVHPILAMA-ZDUSSCGKSA-N -1 3 287.334 3.737 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)ccc1[O-] ZINC000769611358 1129919255 /nfs/dbraw/zinc/91/92/55/1129919255.db2.gz YULDFUXGGKXYME-VQHVLOKHSA-N -1 3 298.386 3.628 20 30 CHEDHM CC(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001239637636 1130028667 /nfs/dbraw/zinc/02/86/67/1130028667.db2.gz SHSZBOMFVQEJNX-RQZCQDPDSA-N -1 3 257.264 3.503 20 30 CHEDHM COc1ccc2c(c1)nccc2-c1ccccc1C=N[O-] ZINC001239687524 1130056453 /nfs/dbraw/zinc/05/64/53/1130056453.db2.gz QWMDRORENXFORS-UHFFFAOYSA-N -1 3 278.311 3.719 20 30 CHEDHM C=C[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000787311601 1130147064 /nfs/dbraw/zinc/14/70/64/1130147064.db2.gz WTYCDBIKLMRKRJ-GFCCVEGCSA-N -1 3 269.747 3.725 20 30 CHEDHM C#CCC1(C(=O)Nc2ccc(Cl)cc2[O-])CCCCC1 ZINC000788520671 1130192883 /nfs/dbraw/zinc/19/28/83/1130192883.db2.gz JDAZKOKWBBBTEM-UHFFFAOYSA-N -1 3 291.778 3.958 20 30 CHEDHM CCCCNC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240089026 1130211673 /nfs/dbraw/zinc/21/16/73/1130211673.db2.gz CNBOHWBVRSJKMD-UHFFFAOYSA-N -1 3 296.370 3.692 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(Cl)nc2)ccc1[O-] ZINC000748999499 1130259494 /nfs/dbraw/zinc/25/94/94/1130259494.db2.gz YPFHIKUGIWSKNT-DJWKRKHSSA-N -1 3 273.719 3.645 20 30 CHEDHM C=C(C)CN(CC)C(=O)c1cc2sccc2c([O-])c1 ZINC000791317264 1130364659 /nfs/dbraw/zinc/36/46/59/1130364659.db2.gz UQHANIWOJNIKHK-UHFFFAOYSA-N -1 3 275.373 3.645 20 30 CHEDHM Cc1cc(F)cc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001240595694 1130379916 /nfs/dbraw/zinc/37/99/16/1130379916.db2.gz PDAQTGYOGJZKAO-VLGSPTGOSA-N -1 3 255.292 3.926 20 30 CHEDHM C[C@H](CCc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144090 1130610981 /nfs/dbraw/zinc/61/09/81/1130610981.db2.gz 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/nfs/dbraw/zinc/82/46/97/1135824697.db2.gz MAXUBLDNJRXQFL-LBPRGKRZSA-N -1 3 253.301 3.712 20 30 CHEDHM Cc1ccc([C@@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227350268 1135824934 /nfs/dbraw/zinc/82/49/34/1135824934.db2.gz MAXUBLDNJRXQFL-GFCCVEGCSA-N -1 3 253.301 3.712 20 30 CHEDHM CCCc1cc(O[C@@H](C)c2ccccc2C#N)[n-]c(=S)n1 ZINC001227422517 1135832434 /nfs/dbraw/zinc/83/24/34/1135832434.db2.gz PERDBDFDGUAGHI-NSHDSACASA-N -1 3 299.399 3.729 20 30 CHEDHM O=C(/C=C\C1=Cc2ccccc2OC1)c1cccc([O-])c1 ZINC000096462924 230378242 /nfs/dbraw/zinc/37/82/42/230378242.db2.gz JYFUKVJDNKXALS-HJWRWDBZSA-N -1 3 278.307 3.607 20 30 CHEDHM CSc1nnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)[n-]1 ZINC000329054825 227275569 /nfs/dbraw/zinc/27/55/69/227275569.db2.gz HVOAXNVTOKPBOW-GMTAPVOTSA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1n[n-]c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000329054825 227275577 /nfs/dbraw/zinc/27/55/77/227275577.db2.gz HVOAXNVTOKPBOW-GMTAPVOTSA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1nc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n[n-]1 ZINC000329054825 227275581 /nfs/dbraw/zinc/27/55/81/227275581.db2.gz HVOAXNVTOKPBOW-GMTAPVOTSA-N -1 3 294.424 3.721 20 30 CHEDHM Cc1nn(C(C)C)cc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000280991684 263065560 /nfs/dbraw/zinc/06/55/60/263065560.db2.gz MRNAIPUPUVZEAN-SOFGYWHQSA-N -1 3 284.359 3.683 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000340618573 263230951 /nfs/dbraw/zinc/23/09/51/263230951.db2.gz HBGKZCZYBFQIHW-UHFFFAOYSA-N -1 3 281.783 3.864 20 30 CHEDHM COc1ccc(C(=O)NCC2CCC(F)(F)CC2)c([O-])c1 ZINC000331225953 264150576 /nfs/dbraw/zinc/15/05/76/264150576.db2.gz CMAXSGQFUIMIHX-UHFFFAOYSA-N -1 3 299.317 3.531 20 30 CHEDHM Cc1cccc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1[O-] ZINC000331236815 264175134 /nfs/dbraw/zinc/17/51/34/264175134.db2.gz MUBPMHPCJHFIDU-KGLIPLIRSA-N -1 3 291.391 3.599 20 30 CHEDHM C=C[C@H](CCC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000417621743 264540679 /nfs/dbraw/zinc/54/06/79/264540679.db2.gz FWIWABAIXZZFQF-SNVBAGLBSA-N -1 3 293.750 3.595 20 30 CHEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc([O-])c1 ZINC000357358371 266282933 /nfs/dbraw/zinc/28/29/33/266282933.db2.gz SSQARNYXPMWPBG-UHFFFAOYSA-N -1 3 273.376 3.601 20 30 CHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)c(Cl)c1 ZINC000417622902 328518813 /nfs/dbraw/zinc/51/88/13/328518813.db2.gz HXVUGMHBMOZDKA-JTQLQIEISA-N -1 3 288.174 3.502 20 30 CHEDHM C=CCC(C)(C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000560024650 327278274 /nfs/dbraw/zinc/27/82/74/327278274.db2.gz KSTBXUCPHDDCRD-CMDGGOBGSA-N -1 3 270.332 3.799 20 30 CHEDHM CSc1ccc(C)c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000048540429 329627131 /nfs/dbraw/zinc/62/71/31/329627131.db2.gz XEFIIFXCJBVXJH-AWEZNQCLSA-N -1 3 282.368 3.602 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000486426245 331936861 /nfs/dbraw/zinc/93/68/61/331936861.db2.gz TYUWILSTGGXJEJ-UHFFFAOYSA-N -1 3 275.392 3.773 20 30 CHEDHM C=CCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000490910134 332128187 /nfs/dbraw/zinc/12/81/87/332128187.db2.gz MZCSXCNVKWASSS-UHFFFAOYSA-N -1 3 275.392 3.897 20 30 CHEDHM C=C(C)COc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000499906428 332595537 /nfs/dbraw/zinc/59/55/37/332595537.db2.gz DCOHZUWHWSWQOF-UHFFFAOYSA-N -1 3 297.354 3.908 20 30 CHEDHM C=CCC(CC=C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153548295 334673338 /nfs/dbraw/zinc/67/33/38/334673338.db2.gz DUAMHABNHATBBN-UHFFFAOYSA-N -1 3 265.740 3.753 20 30 CHEDHM Cc1noc([N-]C(=O)[C@H]2CCc3cc(C)ccc3O2)c1C ZINC000330054013 534428242 /nfs/dbraw/zinc/42/82/42/534428242.db2.gz RHKMKQHFMVJXBX-CQSZACIVSA-N -1 3 286.331 3.582 20 30 CHEDHM C=CCCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413221 599326865 /nfs/dbraw/zinc/32/68/65/599326865.db2.gz QDUDRERNWMWPNM-NSHDSACASA-N -1 3 274.393 3.627 20 30 CHEDHM C=CCCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413221 599326867 /nfs/dbraw/zinc/32/68/67/599326867.db2.gz QDUDRERNWMWPNM-NSHDSACASA-N -1 3 274.393 3.627 20 30 CHEDHM C=CCC[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833373097 605144625 /nfs/dbraw/zinc/14/46/25/605144625.db2.gz FVGNSQHCWKQNGH-OAHLLOKOSA-N -1 3 285.343 3.775 20 30 CHEDHM CCCCCCCCN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000315063867 963853220 /nfs/dbraw/zinc/85/32/20/963853220.db2.gz AASUHRCGJBDAMB-LLVKDONJSA-N -1 3 284.425 3.852 20 30 CHEDHM C=CC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229353130 1132056141 /nfs/dbraw/zinc/05/61/41/1132056141.db2.gz LNYRNWCTGMTPQN-MRVPVSSYSA-N -1 3 266.391 3.632 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cnc(Cl)c(C)c2)ccc1[O-] ZINC000760266158 1125551362 /nfs/dbraw/zinc/55/13/62/1125551362.db2.gz SIEYXRBFPFMEAA-HYXAFXHYSA-N -1 3 287.746 3.954 20 30 CHEDHM CCCc1cc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000072594891 1125634953 /nfs/dbraw/zinc/63/49/53/1125634953.db2.gz DNLWYOJADXZLLQ-CYBMUJFWSA-N -1 3 284.384 3.894 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC2(CCC2)O1 ZINC000887269896 1125781437 /nfs/dbraw/zinc/78/14/37/1125781437.db2.gz DDBOTPJZTPITEG-OLWAXZHHSA-N -1 3 279.767 3.566 20 30 CHEDHM CO[C@]1(C)C[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1(C)C ZINC000745976827 1129621490 /nfs/dbraw/zinc/62/14/90/1129621490.db2.gz NFFVEFWLDOWVAX-FKPVXGFXSA-N -1 3 281.783 3.668 20 30 CHEDHM O=C(CCCc1cccs1)N([O-])Cc1ccc(F)cc1 ZINC000899895237 1126708962 /nfs/dbraw/zinc/70/89/62/1126708962.db2.gz LTJDTJIPUGSZPM-UHFFFAOYSA-N -1 3 293.363 3.628 20 30 CHEDHM CCOCCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904192274 1126837895 /nfs/dbraw/zinc/83/78/95/1126837895.db2.gz GROJOFXRMHBACD-UHFFFAOYSA-N -1 3 299.798 3.655 20 30 CHEDHM C[C@H](CC(F)(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192765 1126838270 /nfs/dbraw/zinc/83/82/70/1126838270.db2.gz BQBKRKWAEGDBMK-MRVPVSSYSA-N -1 3 295.688 3.646 20 30 CHEDHM C#C[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236799344 1131009023 /nfs/dbraw/zinc/00/90/23/1131009023.db2.gz NWTYUJGCJDWFTB-JTQLQIEISA-N -1 3 284.186 3.544 20 30 CHEDHM CC(C)CCN(CCC#N)Cc1cc(Cl)c(F)cc1[O-] ZINC000816503538 1131101739 /nfs/dbraw/zinc/10/17/39/1131101739.db2.gz BPMYQAIXHKXRIJ-UHFFFAOYSA-N -1 3 298.789 3.946 20 30 CHEDHM N#CC(=C([O-])c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000362141318 1127614383 /nfs/dbraw/zinc/61/43/83/1127614383.db2.gz WXWMPKRENHPQNP-JTQLQIEISA-N -1 3 296.273 3.652 20 30 CHEDHM CC[C@@H](NCc1cc(C(C)C)no1)c1cccc(C#N)c1[O-] ZINC000925069935 1128121084 /nfs/dbraw/zinc/12/10/84/1128121084.db2.gz YLNMAROUSWXFOX-OAHLLOKOSA-N -1 3 299.374 3.616 20 30 CHEDHM COc1cc(F)ccc1NN=C(C)c1ccc([O-])c(F)c1 ZINC000761889214 1128253233 /nfs/dbraw/zinc/25/32/33/1128253233.db2.gz CGQVOJALVXOMMD-UHFFFAOYSA-N -1 3 292.285 3.515 20 30 CHEDHM CCC(N=Nc1cc(Cl)ccn1)c1ccc([O-])c(F)c1 ZINC000777907504 1128318196 /nfs/dbraw/zinc/31/81/96/1128318196.db2.gz WUDCTCXONQAFOJ-UHFFFAOYSA-N -1 3 293.729 3.806 20 30 CHEDHM CC(=NNc1cccc(C)c1)c1cc(F)ccc1[O-] ZINC000916581186 1128427679 /nfs/dbraw/zinc/42/76/79/1128427679.db2.gz QJEXEDQULSWDIA-UHFFFAOYSA-N -1 3 258.296 3.676 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccccc1F ZINC000920944083 1128695926 /nfs/dbraw/zinc/69/59/26/1128695926.db2.gz OVINUCWUBNSHCC-ZDLGFXPLSA-N -1 3 277.726 3.846 20 30 CHEDHM CC(=NNCc1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000764717014 1118108816 /nfs/dbraw/zinc/10/88/16/1118108816.db2.gz CLCBDFRRUQKAOJ-UHFFFAOYSA-N -1 3 292.741 3.699 20 30 CHEDHM COc1cc(/C=C\C(=O)c2occc2C)cc(Cl)c1[O-] ZINC000255121114 1118254268 /nfs/dbraw/zinc/25/42/68/1118254268.db2.gz WAXHJDBKUIHZPL-ARJAWSKDSA-N -1 3 292.718 3.852 20 30 CHEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1nc2ccccc2[nH]1 ZINC000342629342 1119105558 /nfs/dbraw/zinc/10/55/58/1119105558.db2.gz DZIGEMZBNZQBAL-LBPRGKRZSA-N -1 3 291.310 3.523 20 30 CHEDHM N#Cc1c2c(sc1Nc1cc(F)c([O-])c(F)c1)CCC2 ZINC001213373509 1119211825 /nfs/dbraw/zinc/21/18/25/1119211825.db2.gz IUASZWXYHAPKKF-UHFFFAOYSA-N -1 3 292.310 3.836 20 30 CHEDHM CC(C)(C)c1ccc(C#N)c(NCc2ccc([O-])c(F)c2)n1 ZINC000613426471 1119921173 /nfs/dbraw/zinc/92/11/73/1119921173.db2.gz HORMXPPOORCGAP-UHFFFAOYSA-N -1 3 299.349 3.708 20 30 CHEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1Cl ZINC000659802298 1120113659 /nfs/dbraw/zinc/11/36/59/1120113659.db2.gz SBMHIWCMJCQYEP-OKILXGFUSA-N -1 3 291.778 3.721 20 30 CHEDHM N#Cc1c(Cl)nsc1Sc1cccc([O-])c1 ZINC000302126121 1120151928 /nfs/dbraw/zinc/15/19/28/1120151928.db2.gz IILWTBSFEDLHHX-UHFFFAOYSA-N -1 3 268.750 3.525 20 30 CHEDHM N#Cc1cccc(Cl)c1Nc1cc(F)cc(F)c1[O-] ZINC001212487196 1120373242 /nfs/dbraw/zinc/37/32/42/1120373242.db2.gz AVRCMGOBPUBOEF-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1cc(F)c(Nc2cc(F)cc(F)c2[O-])c(F)c1 ZINC001212487384 1120373432 /nfs/dbraw/zinc/37/34/32/1120373432.db2.gz IAVWHNPOQVTRND-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001161826572 1120549220 /nfs/dbraw/zinc/54/92/20/1120549220.db2.gz GCTZYFHEMYAEGV-OAHLLOKOSA-N -1 3 279.355 3.654 20 30 CHEDHM C=CCN(CCc1ccco1)Cc1cccc([O-])c1Cl ZINC000512253951 1121229156 /nfs/dbraw/zinc/22/91/56/1121229156.db2.gz SBUFHKVMMHMLIS-UHFFFAOYSA-N -1 3 291.778 3.869 20 30 CHEDHM C#Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175270882 1121270589 /nfs/dbraw/zinc/27/05/89/1121270589.db2.gz MYQYJNYMGBIYSF-UHFFFAOYSA-N -1 3 263.218 3.534 20 30 CHEDHM Cc1cc(C#N)cc(C)c1Nc1cccc([O-])c1F ZINC001212550329 1121286258 /nfs/dbraw/zinc/28/62/58/1121286258.db2.gz HKQIFVOSUGEIQN-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM C#Cc1cccc(Nc2cccc([O-])c2Br)c1 ZINC001175978538 1121510826 /nfs/dbraw/zinc/51/08/26/1121510826.db2.gz KSGFWIRMBHRQFF-UHFFFAOYSA-N -1 3 288.144 3.880 20 30 CHEDHM O=C(C1CCCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096051 1121558016 /nfs/dbraw/zinc/55/80/16/1121558016.db2.gz PICRFIPGJXQXPI-UHFFFAOYSA-N -1 3 288.174 3.901 20 30 CHEDHM CC(C)Oc1cccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001211780502 1121582824 /nfs/dbraw/zinc/58/28/24/1121582824.db2.gz BEGIJSJDFKXTMC-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc(N3CCCC3)c2)c1 ZINC001176420548 1121630679 /nfs/dbraw/zinc/63/06/79/1121630679.db2.gz CILCZJAVXWAIPH-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM COc1cc(F)c(Nc2ccc([O-])c(C#N)c2)cc1Cl ZINC001214067589 1121765144 /nfs/dbraw/zinc/76/51/44/1121765144.db2.gz GVLFCRZWOBEXRP-UHFFFAOYSA-N -1 3 292.697 3.809 20 30 CHEDHM CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001204944588 1121766279 /nfs/dbraw/zinc/76/62/79/1121766279.db2.gz FIFXVLINXHJQJZ-CFBLSMTOSA-N -1 3 255.317 3.643 20 30 CHEDHM CC(=NNCc1ccccc1Cl)c1ccc([O-])cc1F ZINC000729932568 1121785555 /nfs/dbraw/zinc/78/55/55/1121785555.db2.gz FQYSSMQUVVKVBY-UHFFFAOYSA-N -1 3 292.741 3.699 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccs1 ZINC000730586306 1121816266 /nfs/dbraw/zinc/81/62/66/1121816266.db2.gz DRERAFXZSPYLHA-RYGSOJJJSA-N -1 3 274.316 3.976 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cccc(F)c2F)ccc1[O-] ZINC000730729386 1121823440 /nfs/dbraw/zinc/82/34/40/1121823440.db2.gz HZWVPNKHAJMNNK-VMPITWQZSA-N -1 3 274.266 3.875 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cccc(C)c2C)ccc1[O-] ZINC000731157615 1121849866 /nfs/dbraw/zinc/84/98/66/1121849866.db2.gz XOGOPMGQTHIFPB-CLFYSBASSA-N -1 3 282.339 3.914 20 30 CHEDHM CCc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)s1 ZINC000731156769 1121850505 /nfs/dbraw/zinc/85/05/05/1121850505.db2.gz LNTCHFJZRXTDJK-VQHVLOKHSA-N -1 3 288.368 3.921 20 30 CHEDHM CCCCCCCCC[N-]S(=O)(=O)c1ccc(C)o1 ZINC001184929033 1122302936 /nfs/dbraw/zinc/30/29/36/1122302936.db2.gz XIZPGEHNKFYZRH-UHFFFAOYSA-N -1 3 287.425 3.617 20 30 CHEDHM CCCCCCCNC(=O)Nc1ccc([O-])c(F)c1 ZINC001191104437 1122572841 /nfs/dbraw/zinc/57/28/41/1122572841.db2.gz FZAAUZMLDDPJHR-UHFFFAOYSA-N -1 3 268.332 3.623 20 30 CHEDHM N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])cc1 ZINC001250587432 1122788658 /nfs/dbraw/zinc/78/86/58/1122788658.db2.gz QEBKIHRAWITRBJ-UHFFFAOYSA-N -1 3 279.217 3.829 20 30 CHEDHM COc1cccc(OC)c1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000776189315 1123103455 /nfs/dbraw/zinc/10/34/55/1123103455.db2.gz DVFHKRPGVYBFPB-NTMALXAHSA-N -1 3 298.338 3.614 20 30 CHEDHM COc1cc(C(=O)/C=C/c2ccc(C)c(F)c2)ccc1[O-] ZINC000067427949 1123192559 /nfs/dbraw/zinc/19/25/59/1123192559.db2.gz YVXPZWCXIOZHRK-FNORWQNLSA-N -1 3 286.302 3.744 20 30 CHEDHM CC(=NOCC(C)C)c1cc(Br)ccc1[O-] ZINC000749636557 1123225092 /nfs/dbraw/zinc/22/50/92/1123225092.db2.gz PRUXCBULQCOLFD-UHFFFAOYSA-N -1 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299.201 3.825 20 30 CHEDHM C=C[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594067 1131109325 /nfs/dbraw/zinc/10/93/25/1131109325.db2.gz OEPNYLZDLWQEGQ-NSHDSACASA-N -1 3 269.747 3.725 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCC[C@H]1CCCCO1 ZINC000761015967 1127381561 /nfs/dbraw/zinc/38/15/61/1127381561.db2.gz SUHDWOCAMWVVDL-RQNDZEIBSA-N -1 3 281.783 3.814 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccccc1Cl)c1ccccn1 ZINC000046439858 1127401120 /nfs/dbraw/zinc/40/11/20/1127401120.db2.gz PORFOAZFWOUCDS-MMQHEFTJSA-N -1 3 282.730 3.625 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000467930909 1127984617 /nfs/dbraw/zinc/98/46/17/1127984617.db2.gz TXFOEWVACRMDMS-SECBINFHSA-N -1 3 287.281 3.952 20 30 CHEDHM COc1cc(F)ccc1NN=C(C)c1ccc([O-])cc1F ZINC000761889506 1128253286 /nfs/dbraw/zinc/25/32/86/1128253286.db2.gz DTHNKEZXORUAIO-UHFFFAOYSA-N -1 3 292.285 3.515 20 30 CHEDHM CCc1ccccc1NN=C(C)c1cc(F)ccc1[O-] ZINC000915051644 1128278220 /nfs/dbraw/zinc/27/82/20/1128278220.db2.gz 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CCOc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001175224750 1121231694 /nfs/dbraw/zinc/23/16/94/1121231694.db2.gz AUAITTKFXHJLJY-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM N#Cc1ncc(Nc2cccc([O-])c2F)cc1C(F)(F)F ZINC001212547725 1121280963 /nfs/dbraw/zinc/28/09/63/1121280963.db2.gz YATSNODPGSPIJF-UHFFFAOYSA-N -1 3 297.211 3.560 20 30 CHEDHM N#Cc1ccc(Cl)c(Nc2cccc([O-])c2F)c1 ZINC001212550348 1121285789 /nfs/dbraw/zinc/28/57/89/1121285789.db2.gz IMRRQHXUUQGDGY-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1cc(Cl)cc(Nc2cccc([O-])c2F)c1 ZINC001212551169 1121287217 /nfs/dbraw/zinc/28/72/17/1121287217.db2.gz DHXCCNDVHDGYOE-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CCCOc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001211789868 1121590169 /nfs/dbraw/zinc/59/01/69/1121590169.db2.gz JNOJKSMNKYNYLB-UHFFFAOYSA-N -1 3 286.306 3.935 20 30 CHEDHM CC(=NNC1CCCC1)c1ccc2ccccc2c1[O-] ZINC000727652125 1121730808 /nfs/dbraw/zinc/73/08/08/1121730808.db2.gz CTUFVHIMCKBEJJ-UHFFFAOYSA-N -1 3 268.360 3.802 20 30 CHEDHM Cc1csc([C@H](C)/N=C\c2cc(Cl)ccc2[O-])n1 ZINC000727653681 1121731699 /nfs/dbraw/zinc/73/16/99/1121731699.db2.gz WNLGVHDMINZGNJ-JEHWNMSRSA-N -1 3 280.780 3.991 20 30 CHEDHM C=C(C)C[C@H](Oc1ccc2c([O-])coc2c1)C(=C)C ZINC001225340277 1121748403 /nfs/dbraw/zinc/74/84/03/1121748403.db2.gz GYWPSVSSZHBRTN-HNNXBMFYSA-N -1 3 258.317 3.551 20 30 CHEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1cc2ccsc2[n-]1 ZINC000773836454 1121916612 /nfs/dbraw/zinc/91/66/12/1121916612.db2.gz NXEONVRFXYRBHL-AWEZNQCLSA-N -1 3 295.363 3.631 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CCC=CCCC1 ZINC001184315087 1122267918 /nfs/dbraw/zinc/26/79/18/1122267918.db2.gz QJPQGQNEBXEUPS-AWEZNQCLSA-N -1 3 253.386 3.921 20 30 CHEDHM C=CCN(C(=O)c1c(C)cccc1[O-])C1CCCCC1 ZINC001188649402 1122470649 /nfs/dbraw/zinc/47/06/49/1122470649.db2.gz YYCDGNJJHYJISB-UHFFFAOYSA-N -1 3 273.376 3.662 20 30 CHEDHM Cc1noc([N-]C(=O)Nc2ccccc2C(C)(C)C)c1C#N ZINC001189557008 1122505028 /nfs/dbraw/zinc/50/50/28/1122505028.db2.gz ZMBGOUQTCWVBQL-UHFFFAOYSA-N -1 3 298.346 3.796 20 30 CHEDHM C=C(C)Cc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001190231305 1122529542 /nfs/dbraw/zinc/52/95/42/1122529542.db2.gz DNPBYTUYAFUMNN-UHFFFAOYSA-N -1 3 292.338 3.635 20 30 CHEDHM N#Cc1cc([O-])ccc1NC(=O)Oc1ccc(Cl)cc1 ZINC001194060947 1122744102 /nfs/dbraw/zinc/74/41/02/1122744102.db2.gz AASVPGRFQJOJFA-UHFFFAOYSA-N -1 3 288.690 3.528 20 30 CHEDHM C[C@H](C#N)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222378 1123079901 /nfs/dbraw/zinc/07/99/01/1123079901.db2.gz MHKNFEVQBANMPI-SNVBAGLBSA-N -1 3 283.287 3.671 20 30 CHEDHM Cc1c(Nc2cc(C#N)ccc2[O-])cnn1-c1ccccc1 ZINC001201373888 1123088832 /nfs/dbraw/zinc/08/88/32/1123088832.db2.gz CRXAZNCSJCMLIG-UHFFFAOYSA-N -1 3 290.326 3.502 20 30 CHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccccc1Cl ZINC001202063318 1123171418 /nfs/dbraw/zinc/17/14/18/1123171418.db2.gz VAQOOQITYCUJFL-UHFFFAOYSA-N -1 3 287.706 3.561 20 30 CHEDHM Cc1ccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1 ZINC001202421878 1123205699 /nfs/dbraw/zinc/20/56/99/1123205699.db2.gz CXGYCWMCKQXCCN-UHFFFAOYSA-N -1 3 298.346 3.796 20 30 CHEDHM CCSC1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000852999217 1123417689 /nfs/dbraw/zinc/41/76/89/1123417689.db2.gz YMKNQGGWIXXMPO-OVCLIPMQSA-N -1 3 269.797 3.750 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CC[C@@H]1CC1(F)F ZINC000856719973 1123565724 /nfs/dbraw/zinc/56/57/24/1123565724.db2.gz XXJJLFLQLAYNKA-UHDDOIDHSA-N -1 3 259.683 3.510 20 30 CHEDHM CCCCC(=O)[C@@H](CCCC)Oc1cc(C#N)ccc1[O-] ZINC001227350257 1123722472 /nfs/dbraw/zinc/72/24/72/1123722472.db2.gz LVVCPYCNXZSTET-MRXNPFEDSA-N -1 3 289.375 3.961 20 30 CHEDHM C[C@@H](CCC#N)CN=Nc1nc2ccccc2[n-]c1=S ZINC000863125177 1123846483 /nfs/dbraw/zinc/84/64/83/1123846483.db2.gz OYCIFJWFONDREY-JTQLQIEISA-N -1 3 285.376 3.630 20 30 CHEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCC1 ZINC000863130030 1123847413 /nfs/dbraw/zinc/84/74/13/1123847413.db2.gz ZWWMHRJCUUQFNT-UHFFFAOYSA-N -1 3 258.350 3.634 20 30 CHEDHM C=C(C)C[C@@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000864530558 1123933797 /nfs/dbraw/zinc/93/37/97/1123933797.db2.gz GIJSYXIQHWPBQP-GFCCVEGCSA-N -1 3 288.174 3.502 20 30 CHEDHM C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1cccc(C#N)c1[O-] ZINC000866237206 1124039373 /nfs/dbraw/zinc/03/93/73/1124039373.db2.gz GIEXRXWXZAHKBW-MKBNYLNASA-N -1 3 296.370 3.831 20 30 CHEDHM C#C[C@@H](CCC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959140 1125337979 /nfs/dbraw/zinc/33/79/79/1125337979.db2.gz RZFLNFUNXSTFFS-ZDUSSCGKSA-N -1 3 274.360 3.899 20 30 CHEDHM Cc1noc(C)c1[C@@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000129584149 1125343607 /nfs/dbraw/zinc/34/36/07/1125343607.db2.gz PQQXXIXFKKSIAE-PCYPHTAMSA-N -1 3 292.766 3.873 20 30 CHEDHM CC(N=Nc1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000735615418 1129352975 /nfs/dbraw/zinc/35/29/75/1129352975.db2.gz OZLQMRPQLDEFKU-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM Cc1ccc(-c2cc(C#N)cc(C(F)(F)F)n2)c([O-])c1 ZINC001241030426 1129411039 /nfs/dbraw/zinc/41/10/39/1129411039.db2.gz KIMCYKHNPATVAR-UHFFFAOYSA-N -1 3 278.233 3.653 20 30 CHEDHM Cc1noc(C)c1C[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000737443668 1129448373 /nfs/dbraw/zinc/44/83/73/1129448373.db2.gz KRTKCLMXPKLTHR-NRMZQKLJSA-N -1 3 292.766 3.701 20 30 CHEDHM CC(=NNc1cccc(F)c1F)c1ccc([O-])c(F)c1 ZINC000743443631 1129524520 /nfs/dbraw/zinc/52/45/20/1129524520.db2.gz LINVWWJOZPAVLN-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM Cc1ccc(C#N)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000746341002 1129644100 /nfs/dbraw/zinc/64/41/00/1129644100.db2.gz ZAQDIJSHIWWZAG-UHFFFAOYSA-N -1 3 270.719 3.976 20 30 CHEDHM COc1c(Cl)ccc(Nc2cc(C#N)ccc2[O-])c1F ZINC001212586443 1129707071 /nfs/dbraw/zinc/70/70/71/1129707071.db2.gz WYCMITLPAOHSID-UHFFFAOYSA-N -1 3 292.697 3.809 20 30 CHEDHM COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1F ZINC001239580361 1131397586 /nfs/dbraw/zinc/39/75/86/1131397586.db2.gz HNTZPUXYAWEYKN-SDXDJHTJSA-N -1 3 271.291 3.626 20 30 CHEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767340569 1129786398 /nfs/dbraw/zinc/78/63/98/1129786398.db2.gz BKJXUAULYNEBJX-DGMFMNFASA-N -1 3 293.794 3.670 20 30 CHEDHM O=C(c1ccccc1[O-])N(O)Cc1cccc2ccccc21 ZINC000900091933 1129862721 /nfs/dbraw/zinc/86/27/21/1129862721.db2.gz TVXMKPKGAVLMNK-UHFFFAOYSA-N -1 3 293.322 3.577 20 30 CHEDHM CS[C@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091814 1129862808 /nfs/dbraw/zinc/86/28/08/1129862808.db2.gz OMXYJYGGMCELJW-GFCCVEGCSA-N -1 3 289.400 3.699 20 30 CHEDHM C=C1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001137701656 1131403793 /nfs/dbraw/zinc/40/37/93/1131403793.db2.gz GBFHHUBDULBJKB-UHFFFAOYSA-N -1 3 265.740 3.731 20 30 CHEDHM O=C(c1cccs1)N([O-])Cc1cccc2ccccc21 ZINC000901367453 1129917183 /nfs/dbraw/zinc/91/71/83/1129917183.db2.gz GREQFVQPDYFBJA-UHFFFAOYSA-N -1 3 283.352 3.933 20 30 CHEDHM O=C([C@H]1CCCC[C@H]1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901372304 1129917496 /nfs/dbraw/zinc/91/74/96/1129917496.db2.gz BWPOPRKKXFMFQX-HOTGVXAUSA-N -1 3 291.366 3.760 20 30 CHEDHM O=C([C@@H](c1ccccc1)C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901371690 1129917655 /nfs/dbraw/zinc/91/76/55/1129917655.db2.gz HPJJKUYVZJOANH-KRWDZBQOSA-N -1 3 299.345 3.737 20 30 CHEDHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901372554 1129918060 /nfs/dbraw/zinc/91/80/60/1129918060.db2.gz GTBIQADNXHLOOW-QRVDHSFSSA-N -1 3 295.382 3.850 20 30 CHEDHM CCC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901378030 1129918978 /nfs/dbraw/zinc/91/89/78/1129918978.db2.gz HDQPIBMECQMFFR-UHFFFAOYSA-N -1 3 288.174 3.901 20 30 CHEDHM CC(=NNc1c(C)cccc1F)c1ccc([O-])c(F)c1 ZINC000769840988 1129927940 /nfs/dbraw/zinc/92/79/40/1129927940.db2.gz QRYLDLHDMZUPTB-UHFFFAOYSA-N -1 3 276.286 3.815 20 30 CHEDHM COc1ccc2c(c1)nccc2-c1ccc(/C=N/[O-])c(F)c1 ZINC001239683691 1130053822 /nfs/dbraw/zinc/05/38/22/1130053822.db2.gz MYPADZLXKAAGLI-KEBDBYFISA-N -1 3 296.301 3.858 20 30 CHEDHM N#CC1(CCCCOc2ccc3c([O-])coc3c2)CCC1 ZINC000902765135 1130053982 /nfs/dbraw/zinc/05/39/82/1130053982.db2.gz NOQZDKFLJQHMDY-UHFFFAOYSA-N -1 3 285.343 3.505 20 30 CHEDHM COc1ccc(F)cc1-c1ccc(/C(C)=N/[O-])cc1 ZINC001239724191 1130075793 /nfs/dbraw/zinc/07/57/93/1130075793.db2.gz LRJRMTBRGJSWMV-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM [O-]/N=C/c1ccc(-c2ccnc3ccccc32)cc1F ZINC001239853130 1130134816 /nfs/dbraw/zinc/13/48/16/1130134816.db2.gz NQOFNCOJKQLJNB-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM C[Si](C)(C)C#Cc1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001243047867 1130188721 /nfs/dbraw/zinc/18/87/21/1130188721.db2.gz AXKPBFLRUHICDE-UHFFFAOYSA-N -1 3 285.394 3.822 20 30 CHEDHM C/C(=N\[O-])c1ccc(-c2ccc(C#N)c(F)c2)cc1 ZINC001240162504 1130227666 /nfs/dbraw/zinc/22/76/66/1130227666.db2.gz NKQQXPJZUXAIHO-VCHYOVAHSA-N -1 3 254.264 3.563 20 30 CHEDHM CC(C)(O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001240409390 1130294799 /nfs/dbraw/zinc/29/47/99/1130294799.db2.gz ADGZZDWHOREPJY-VCHYOVAHSA-N -1 3 273.307 3.528 20 30 CHEDHM C=CCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790900268 1130338409 /nfs/dbraw/zinc/33/84/09/1130338409.db2.gz YMYZMAPXSRAAQE-HNNXBMFYSA-N -1 3 297.354 3.535 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2cccc(N3CCCC3)c2)c1 ZINC001240536894 1130348907 /nfs/dbraw/zinc/34/89/07/1130348907.db2.gz KDRWXEVWRHNYNM-XDHOZWIPSA-N -1 3 284.334 3.901 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccc2ccccc21 ZINC000792098890 1130428980 /nfs/dbraw/zinc/42/89/80/1130428980.db2.gz FONINPIOPRDPQI-XITLMJRVSA-N -1 3 288.306 3.717 20 30 CHEDHM C[Si](C)(C)C#Cc1ccnc(-c2ccccc2[O-])c1 ZINC001241009448 1130563714 /nfs/dbraw/zinc/56/37/14/1130563714.db2.gz PZDJVGKKASNVJE-UHFFFAOYSA-N -1 3 267.404 3.683 20 30 CHEDHM COc1cccc(F)c1-c1ccc(/C(C)=N/[O-])cc1 ZINC001241013694 1130566199 /nfs/dbraw/zinc/56/61/99/1130566199.db2.gz JKHMVILKNQZUKC-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1c(F)cccc1F ZINC001234142876 1130610644 /nfs/dbraw/zinc/61/06/44/1130610644.db2.gz XSSOFGSLCDGFHO-VIFPVBQESA-N -1 3 275.254 3.682 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@H]2CCCc3ccccc32)c1 ZINC001234142027 1130611344 /nfs/dbraw/zinc/61/13/44/1130611344.db2.gz SFTVSBUFEPQCCF-KRWDZBQOSA-N -1 3 265.312 3.720 20 30 CHEDHM CCOc1ccc([C@H](C)Oc2cc([O-])cc(C#N)c2)cc1 ZINC001234144156 1130611431 /nfs/dbraw/zinc/61/14/31/1130611431.db2.gz JNQBQXHKPQYUAF-LBPRGKRZSA-N -1 3 283.327 3.803 20 30 CHEDHM C=CCOc1ccccc1[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234143958 1130611528 /nfs/dbraw/zinc/61/15/28/1130611528.db2.gz IBLURVXUWKZAIQ-ZDUSSCGKSA-N -1 3 295.338 3.969 20 30 CHEDHM C#C[C@H](Oc1c([O-])cc(Cl)cc1F)c1ccccc1 ZINC001234446477 1130644714 /nfs/dbraw/zinc/64/47/14/1130644714.db2.gz FWFAPOPMEGZNRV-AWEZNQCLSA-N -1 3 276.694 3.938 20 30 CHEDHM C=C[C@H](CCC)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791602 1130677852 /nfs/dbraw/zinc/67/78/52/1130677852.db2.gz QFQUGBIOHBFRLB-GFCCVEGCSA-N -1 3 278.348 3.645 20 30 CHEDHM N#CCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000781925775 1130749125 /nfs/dbraw/zinc/74/91/25/1130749125.db2.gz ACJWIMDZSFSGCS-UHFFFAOYSA-N -1 3 299.201 3.825 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2scnc2C2CC2)ccc1[O-] ZINC000782327568 1130772429 /nfs/dbraw/zinc/77/24/29/1130772429.db2.gz 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20 30 CHEDHM N#CC[C@@H]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000840704739 1132271979 /nfs/dbraw/zinc/27/19/79/1132271979.db2.gz APAHMEBLPCGNEH-USBPFXEUSA-N -1 3 262.740 3.547 20 30 CHEDHM C#C[C@@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231218649 1132273035 /nfs/dbraw/zinc/27/30/35/1132273035.db2.gz LIABZLLTKSDNMH-GFCCVEGCSA-N -1 3 254.285 3.585 20 30 CHEDHM C#C[C@H](CC)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224081 1132273757 /nfs/dbraw/zinc/27/37/57/1132273757.db2.gz VXBQJIUOHDSKCM-CYBMUJFWSA-N -1 3 268.312 3.975 20 30 CHEDHM CCO[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)ccc1[O-] ZINC000840708740 1132274632 /nfs/dbraw/zinc/27/46/32/1132274632.db2.gz DLPILSVOUOOLBZ-LIPKVFPISA-N -1 3 281.783 3.812 20 30 CHEDHM C#C[C@@H](CCCC)Oc1cc(Cl)c([O-])cc1C ZINC001233592965 1132643495 /nfs/dbraw/zinc/64/34/95/1132643495.db2.gz RZMLBKIRHKNYDD-NSHDSACASA-N -1 3 252.741 3.925 20 30 CHEDHM CC#CC[C@@H](CC)Oc1cc(Cl)c([O-])cc1C ZINC001233593062 1132643763 /nfs/dbraw/zinc/64/37/63/1132643763.db2.gz TXDYYCHBVQFZTO-LLVKDONJSA-N -1 3 252.741 3.925 20 30 CHEDHM C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001155982056 1132674787 /nfs/dbraw/zinc/67/47/87/1132674787.db2.gz CYQKNDFHXWEBAA-CYBMUJFWSA-N -1 3 261.365 3.600 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccc(F)cc1 ZINC001233799385 1132679995 /nfs/dbraw/zinc/67/99/95/1132679995.db2.gz JCWBHBYKQPOEEZ-HPAYWCODSA-N -1 3 289.306 3.782 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001233802005 1132681941 /nfs/dbraw/zinc/68/19/41/1132681941.db2.gz FUGGWUBUTNIOMF-QJLVKKIYSA-N -1 3 277.364 3.707 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001233802008 1132681977 /nfs/dbraw/zinc/68/19/77/1132681977.db2.gz FUGGWUBUTNIOMF-VPDILDFCSA-N -1 3 277.364 3.707 20 30 CHEDHM O=C([C@@H]1C[C@H]1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001161807809 1133030555 /nfs/dbraw/zinc/03/05/55/1133030555.db2.gz ORGUAYGJVMEIAL-UONOGXRCSA-N -1 3 293.794 3.884 20 30 CHEDHM CCCCCCN([O-])C(=O)c1sc(C(C)C)nc1C ZINC001161826545 1133032368 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ZINC001216414049 1134888747 /nfs/dbraw/zinc/88/87/47/1134888747.db2.gz DHGRVLJMHXYQAZ-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM Cc1cccc2c1CC[C@@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226110755 1135663341 /nfs/dbraw/zinc/66/33/41/1135663341.db2.gz VFXLUUOJIROGRT-SZLZGVTBSA-N -1 3 267.328 3.869 20 30 CHEDHM [O-]/N=C/c1cccc(O[C@@H]2CCc3ccccc32)c1 ZINC001226110961 1135664154 /nfs/dbraw/zinc/66/41/54/1135664154.db2.gz ZKWYDQRHQVHSTJ-PCJMVEANSA-N -1 3 253.301 3.561 20 30 CHEDHM C[C@@H](CC(C)(C)S)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118194 1135665350 /nfs/dbraw/zinc/66/53/50/1135665350.db2.gz CKJMMRYYPDYMKT-QMMMGPOBSA-N -1 3 284.450 3.509 20 30 CHEDHM C=CC[C@@H](CCC)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597911 1135718285 /nfs/dbraw/zinc/71/82/85/1135718285.db2.gz YEVSCFFJAZZVCR-LBPRGKRZSA-N -1 3 274.316 3.622 20 30 CHEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1c(F)cccc1F ZINC001227344850 1135823631 /nfs/dbraw/zinc/82/36/31/1135823631.db2.gz FLSUJSRCRNPGBV-VIFPVBQESA-N -1 3 275.254 3.682 20 30 CHEDHM Cc1ccc2c(c1)[C@@H](Oc1cc(C#N)ccc1[O-])CC2 ZINC001227345597 1135823918 /nfs/dbraw/zinc/82/39/18/1135823918.db2.gz OMDJWKCVJAVRDO-INIZCTEOSA-N -1 3 265.312 3.639 20 30 CHEDHM CCCc1cc(O[C@@H](CC#N)c2ccccc2)[n-]c(=S)n1 ZINC001227423098 1135832467 /nfs/dbraw/zinc/83/24/67/1135832467.db2.gz VJUSUUVKDBXEKI-AWEZNQCLSA-N -1 3 299.399 3.752 20 30 CHEDHM C=C[C@@H](CC)Oc1c([O-])cc(Br)cc1F ZINC001227587471 1135848506 /nfs/dbraw/zinc/84/85/06/1135848506.db2.gz IWPPADZRONJOMB-QMMMGPOBSA-N -1 3 275.117 3.637 20 30 CHEDHM CCc1ccc2occ(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000353521204 529732504 /nfs/dbraw/zinc/73/25/04/529732504.db2.gz PPNUZNCIKHEQOG-CQSZACIVSA-N -1 3 290.322 3.880 20 30 CHEDHM CCCOc1ccc(/C=N/[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000287046479 263100808 /nfs/dbraw/zinc/10/08/08/263100808.db2.gz IJMYGXNUUQDOAA-PCYPHTAMSA-N -1 3 275.270 3.551 20 30 CHEDHM N#CC[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000356585764 266143315 /nfs/dbraw/zinc/14/33/15/266143315.db2.gz ZABDDLFKUMRWNS-CYBMUJFWSA-N -1 3 298.317 3.557 20 30 CHEDHM C=CCC(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000562402815 327479450 /nfs/dbraw/zinc/47/94/50/327479450.db2.gz HHKADLOZGKOBKC-UHFFFAOYSA-N -1 3 298.180 3.696 20 30 CHEDHM N#CC[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000527002223 328820489 /nfs/dbraw/zinc/82/04/89/328820489.db2.gz CIDMDLAJZBPLGE-ZDUSSCGKSA-N -1 3 298.317 3.557 20 30 CHEDHM C=C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436779287 330685194 /nfs/dbraw/zinc/68/51/94/330685194.db2.gz VCBYTQGQNBAHFH-ZDUSSCGKSA-N -1 3 292.338 3.955 20 30 CHEDHM C=CCCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000452760713 331075317 /nfs/dbraw/zinc/07/53/17/331075317.db2.gz WNBNVCAGZQLELP-UHFFFAOYSA-N -1 3 298.180 3.758 20 30 CHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc(C#N)o2)s1 ZINC000334722453 526749696 /nfs/dbraw/zinc/74/96/96/526749696.db2.gz PZZKRDHKTLWQTQ-UHFFFAOYSA-N -1 3 299.355 3.634 20 30 CHEDHM CC(CCC1CCCC1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735987482 598935989 /nfs/dbraw/zinc/93/59/89/598935989.db2.gz 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HFGCSSOYJZBPGJ-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1cccc(NC(=O)Nc2ccc([O-])cc2C#N)c1C ZINC001202704800 1125522639 /nfs/dbraw/zinc/52/26/39/1125522639.db2.gz BTGPVXUOOOCECO-UHFFFAOYSA-N -1 3 281.315 3.525 20 30 CHEDHM C[C@H]1CCc2c(C([O-])=C(C#N)c3ccccn3)csc2C1 ZINC000060477031 1125544242 /nfs/dbraw/zinc/54/42/42/1125544242.db2.gz DNDKCPUJRVPEPP-AAEUAGOBSA-N -1 3 296.395 3.758 20 30 CHEDHM N#CCc1cc(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001212016278 1125652849 /nfs/dbraw/zinc/65/28/49/1125652849.db2.gz HTSFIQRPAKPLTN-UHFFFAOYSA-N -1 3 278.233 3.619 20 30 CHEDHM N#CC1(C(=O)N([O-])Cc2ccccc2Cl)CCCCC1 ZINC000904188590 1126837331 /nfs/dbraw/zinc/83/73/31/1126837331.db2.gz GITADNJDBINLDG-UHFFFAOYSA-N -1 3 292.766 3.532 20 30 CHEDHM CSCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188524 1126837352 /nfs/dbraw/zinc/83/73/52/1126837352.db2.gz DEVLMRJUXSCEJO-UHFFFAOYSA-N -1 3 287.812 3.591 20 30 CHEDHM O=C(CCCc1ccsc1)N([O-])Cc1ccc(F)cc1 ZINC000904173712 1126837527 /nfs/dbraw/zinc/83/75/27/1126837527.db2.gz PKFSJXQFDWSMMB-UHFFFAOYSA-N -1 3 293.363 3.628 20 30 CHEDHM N#Cc1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011810174 1127808592 /nfs/dbraw/zinc/80/85/92/1127808592.db2.gz HDIAQHPJVQNCID-UHFFFAOYSA-N -1 3 295.125 3.550 20 30 CHEDHM N#C[C@H](Oc1c(Cl)ccc([O-])c1F)c1cccc(F)c1 ZINC001234263309 1128135626 /nfs/dbraw/zinc/13/56/26/1128135626.db2.gz WZSWGBPODHOJFR-LBPRGKRZSA-N -1 3 295.672 3.967 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccnc(Cl)c2Cl)c1 ZINC001212240066 1128604581 /nfs/dbraw/zinc/60/45/81/1128604581.db2.gz DIHFEUSKBKKKOI-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM C[C@H](C/N=C/c1cc(Br)ccc1[O-])C1CC1 ZINC000920177546 1128670712 /nfs/dbraw/zinc/67/07/12/1128670712.db2.gz HPWNBZYYAOGYQV-KOLYXTFFSA-N -1 3 282.181 3.620 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(F)c(F)c1 ZINC000920387903 1128679946 /nfs/dbraw/zinc/67/99/46/1128679946.db2.gz WFOBVTGFUFYJFA-LSCVHKIXSA-N -1 3 281.689 3.943 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)ccc1[O-] ZINC000728230281 1118051241 /nfs/dbraw/zinc/05/12/41/1118051241.db2.gz CNGGWDZWITVKLE-XQRVVYSFSA-N -1 3 282.339 3.919 20 30 CHEDHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1O ZINC000728230174 1118051708 /nfs/dbraw/zinc/05/17/08/1118051708.db2.gz AVPUUTZPFAFFQV-QPJJXVBHSA-N -1 3 298.338 3.701 20 30 CHEDHM Cc1cccc2[nH]c(CN=Cc3cc(Cl)ccc3[O-])nc21 ZINC000765499211 1118157008 /nfs/dbraw/zinc/15/70/08/1118157008.db2.gz GWSXZWPUVLQPSZ-LSCVHKIXSA-N -1 3 299.761 3.849 20 30 CHEDHM C#CCOc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223478 1118212752 /nfs/dbraw/zinc/21/27/52/1118212752.db2.gz XAKYQHMCEYDKCC-UHFFFAOYSA-N -1 3 273.719 3.801 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](C)CSC(F)(F)F ZINC001649056631 1118283572 /nfs/dbraw/zinc/28/35/72/1118283572.db2.gz DVDZSHZGEUCQDI-SECBINFHSA-N -1 3 287.347 3.674 20 30 CHEDHM CCCCCCN([O-])C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC001649057172 1118284251 /nfs/dbraw/zinc/28/42/51/1118284251.db2.gz QYTHZISXPZQPIU-UHFFFAOYSA-N -1 3 293.363 3.519 20 30 CHEDHM CCCCCCN([O-])C(=O)c1ocnc1-c1ccccc1 ZINC001649056942 1118284599 /nfs/dbraw/zinc/28/45/99/1118284599.db2.gz MHJJENSBVYIEFV-UHFFFAOYSA-N -1 3 288.347 3.753 20 30 CHEDHM CCCCCCN([O-])C(=O)c1csc(C(C)(C)C)n1 ZINC001649056791 1118285201 /nfs/dbraw/zinc/28/52/01/1118285201.db2.gz IHHVEUKNIWONOZ-UHFFFAOYSA-N -1 3 284.425 3.852 20 30 CHEDHM CCOc1cc(/C=C\C(=O)c2ccco2)cc(Cl)c1[O-] ZINC000255299114 1118585807 /nfs/dbraw/zinc/58/58/07/1118585807.db2.gz ZIWCGPHSFFJOSF-WAYWQWQTSA-N -1 3 292.718 3.933 20 30 CHEDHM N#Cc1csc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180357768 1128787907 /nfs/dbraw/zinc/78/79/07/1128787907.db2.gz BUQBIGGZSSNOTC-UHFFFAOYSA-N -1 3 298.701 3.804 20 30 CHEDHM CC(=NNc1ccccc1F)c1ccc([O-])c(F)c1 ZINC000728426353 1118929323 /nfs/dbraw/zinc/92/93/23/1118929323.db2.gz ZXZDSBADGKJZKL-UHFFFAOYSA-N -1 3 262.259 3.507 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccc(Cl)nc1 ZINC000255440244 1118942740 /nfs/dbraw/zinc/94/27/40/1118942740.db2.gz IYTLWNYQJSOSDA-MFOYZWKCSA-N -1 3 295.169 3.756 20 30 CHEDHM COc1ccc(C#N)cc1Nc1cc(Cl)ccc1[O-] ZINC001216403531 1119054142 /nfs/dbraw/zinc/05/41/42/1119054142.db2.gz QHVFGYKXKVJIAV-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM C=CC(C)(C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000836829478 1120273486 /nfs/dbraw/zinc/27/34/86/1120273486.db2.gz YCSHQRICBCHYDE-UHFFFAOYSA-N -1 3 275.373 3.549 20 30 CHEDHM CCCOc1ccc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001211670520 1120790287 /nfs/dbraw/zinc/79/02/87/1120790287.db2.gz TWHWJZSBLKGXTJ-UHFFFAOYSA-N -1 3 286.306 3.935 20 30 CHEDHM COc1cc(Nc2cc([O-])cc(Cl)c2)ccc1C#N ZINC001176624935 1121664645 /nfs/dbraw/zinc/66/46/45/1121664645.db2.gz SFGDCFLTILCORP-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1c(F)ccc(F)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625859 1121665475 /nfs/dbraw/zinc/66/54/75/1121665475.db2.gz PXRAQRSHTMTELK-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC(=NNc1ccc(F)cc1F)c1ccc([O-])cc1F ZINC000729931551 1121784463 /nfs/dbraw/zinc/78/44/63/1121784463.db2.gz LOURSDVRAVJMAS-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM CC(=NNc1cc(F)cc(F)c1)c1ccc([O-])cc1F ZINC000729932631 1121784555 /nfs/dbraw/zinc/78/45/55/1121784555.db2.gz HXZOGQXNUACRDN-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM CC(=NNc1cccc2cnccc21)c1ccc([O-])cc1F ZINC000729933282 1121784994 /nfs/dbraw/zinc/78/49/94/1121784994.db2.gz WKUDIYJZYDBKID-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM CCCCCCN([O-])C(=O)CCc1ccccc1F ZINC001184305736 1122266816 /nfs/dbraw/zinc/26/68/16/1122266816.db2.gz OUBAHIMYWIPECK-UHFFFAOYSA-N -1 3 267.344 3.556 20 30 CHEDHM Cc1ccccc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001184283031 1122269468 /nfs/dbraw/zinc/26/94/68/1122269468.db2.gz AIHMZOGLAZRBFI-UHFFFAOYSA-N -1 3 289.762 3.609 20 30 CHEDHM O=C([C@@H]1CCCC12CC2)N([O-])Cc1ccccc1Cl ZINC001184284036 1122269690 /nfs/dbraw/zinc/26/96/90/1122269690.db2.gz WXMJAIZMEGDCDU-LBPRGKRZSA-N -1 3 279.767 3.638 20 30 CHEDHM C[C@@H]1CC[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001184283041 1122269613 /nfs/dbraw/zinc/26/96/13/1122269613.db2.gz ASJJZWDAVJAPNC-VXGBXAGGSA-N -1 3 281.783 3.884 20 30 CHEDHM C/C=C(/CC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339490 1122272003 /nfs/dbraw/zinc/27/20/03/1122272003.db2.gz FNQPQGQBKHVNLJ-DXNYSGJVSA-N -1 3 269.344 3.914 20 30 CHEDHM CCc1cc(C(=O)[N-]c2sc3ccccc3c2C#N)no1 ZINC001189995275 1122521765 /nfs/dbraw/zinc/52/17/65/1122521765.db2.gz CHKIGYHCWANQNN-UHFFFAOYSA-N -1 3 297.339 3.576 20 30 CHEDHM C=C(C)COc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436734684 1122576245 /nfs/dbraw/zinc/57/62/45/1122576245.db2.gz BNEDHBWDISUDPD-UHFFFAOYSA-N -1 3 297.354 3.908 20 30 CHEDHM N#CCCC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000436930944 1122593737 /nfs/dbraw/zinc/59/37/37/1122593737.db2.gz ZILAWJNYMNHOIT-INIZCTEOSA-N -1 3 294.354 3.557 20 30 CHEDHM N#Cc1ccc(C=CNc2cc(F)c(F)cc2[O-])cc1 ZINC001203306485 1122926136 /nfs/dbraw/zinc/92/61/36/1122926136.db2.gz JELFVSSBJOLUND-AATRIKPKSA-N -1 3 272.254 3.625 20 30 CHEDHM CSc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n[n-]1 ZINC000328751998 1123109704 /nfs/dbraw/zinc/10/97/04/1123109704.db2.gz CQSZADPLKGZMQB-GMTAPVOTSA-N -1 3 294.424 3.721 20 30 CHEDHM N#Cc1ccc([N-]c2cc(-c3ccco3)no2)c(F)c1 ZINC001201562029 1123124250 /nfs/dbraw/zinc/12/42/50/1123124250.db2.gz WNRGDFPZILQUCY-UHFFFAOYSA-N -1 3 269.235 3.689 20 30 CHEDHM N#Cc1ccc(Nc2cncc([O-])c2)c2ccccc12 ZINC001201636269 1123130061 /nfs/dbraw/zinc/13/00/61/1123130061.db2.gz TXDMRMYXTZMWOQ-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM CC(C)OCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863124687 1123846475 /nfs/dbraw/zinc/84/64/75/1123846475.db2.gz AADIGMXYNNJFDL-UHFFFAOYSA-N -1 3 290.392 3.505 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cc(F)cc(F)c2)ccc1[O-] ZINC000120818391 1124026481 /nfs/dbraw/zinc/02/64/81/1124026481.db2.gz JSLWBZDADOSYNZ-DUXPYHPUSA-N -1 3 290.265 3.575 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cc(F)ccc1F ZINC000794937136 1124086033 /nfs/dbraw/zinc/08/60/33/1124086033.db2.gz FVEFNNYLYIDALO-DJWKRKHSSA-N -1 3 296.219 3.845 20 30 CHEDHM COc1ccsc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794944312 1124093399 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ZINC001212784520 1125259415 /nfs/dbraw/zinc/25/94/15/1125259415.db2.gz WSHCALSMGPTYHU-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM COc1cccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c1 ZINC000213220088 1125359089 /nfs/dbraw/zinc/35/90/89/1125359089.db2.gz MFXRGILJYYPMMM-YWEFTTLKSA-N -1 3 298.313 3.923 20 30 CHEDHM C#CCN(C(=O)c1ccc(C(C)C)cc1[O-])C1CCCCC1 ZINC001136512548 1131354698 /nfs/dbraw/zinc/35/46/98/1131354698.db2.gz BXKRGSDAYPDMBY-UHFFFAOYSA-N -1 3 299.414 3.924 20 30 CHEDHM COc1ccc(OC)c(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000733867756 1129271754 /nfs/dbraw/zinc/27/17/54/1129271754.db2.gz WMQWSWPKLAZVIU-YVMONPNESA-N -1 3 298.338 3.614 20 30 CHEDHM CC1(C)[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000741465764 1129437076 /nfs/dbraw/zinc/43/70/76/1129437076.db2.gz YCHUYTHKMUNLTE-QBACMOFQSA-N -1 3 293.794 3.668 20 30 CHEDHM CCOc1ccc(-c2ccccc2C=N[O-])cc1C ZINC001241199104 1129479910 /nfs/dbraw/zinc/47/99/10/1129479910.db2.gz QJPPALZBADRJTP-UHFFFAOYSA-N -1 3 255.317 3.869 20 30 CHEDHM CO[C@]1(C)C[C@H](/N=C\c2cc(Cl)ccc2[O-])C1(C)C ZINC000745976828 1129621670 /nfs/dbraw/zinc/62/16/70/1129621670.db2.gz NFFVEFWLDOWVAX-LVFRSWPXSA-N -1 3 281.783 3.668 20 30 CHEDHM CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000746394797 1129654820 /nfs/dbraw/zinc/65/48/20/1129654820.db2.gz RMGSPPZFGLMDJQ-AYCSXLNKSA-N -1 3 281.783 3.670 20 30 CHEDHM CCO[C@H](CC/N=C/c1cc(Cl)ccc1[O-])C(C)C ZINC000746394813 1129654992 /nfs/dbraw/zinc/65/49/92/1129654992.db2.gz RYNYSUPKQVIELO-ZXMBATIKSA-N -1 3 283.799 3.916 20 30 CHEDHM C=C(C)CCc1ccccc1NCc1ncccc1[O-] ZINC001169733490 1129753373 /nfs/dbraw/zinc/75/33/73/1129753373.db2.gz WBOSNQANHACVLT-UHFFFAOYSA-N -1 3 268.360 3.908 20 30 CHEDHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N([O-])Cc1cccc2ccccc21 ZINC000900091561 1129862598 /nfs/dbraw/zinc/86/25/98/1129862598.db2.gz BELYHQYVITZQBH-PIIMJCKOSA-N -1 3 295.382 3.994 20 30 CHEDHM O=C(C1CC=CC1)N([O-])Cc1cccc2ccccc21 ZINC000900091692 1129863251 /nfs/dbraw/zinc/86/32/51/1129863251.db2.gz 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ZINC000057650571 1127271629 /nfs/dbraw/zinc/27/16/29/1127271629.db2.gz LHQFTKRHPQBLNU-UHFFFAOYSA-N -1 3 295.323 3.527 20 30 CHEDHM C=CCOc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000303051351 1128051005 /nfs/dbraw/zinc/05/10/05/1128051005.db2.gz YEGFAWRLSUMRKI-UHFFFAOYSA-N -1 3 283.327 3.518 20 30 CHEDHM C=C(C)C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)C(=C)C ZINC001234452914 1128191090 /nfs/dbraw/zinc/19/10/90/1128191090.db2.gz QWIGFNHAIKZCHN-CYBMUJFWSA-N -1 3 258.321 3.558 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccc(F)c1 ZINC000914773477 1128242288 /nfs/dbraw/zinc/24/22/88/1128242288.db2.gz IYYLZHUCBUVMCA-MFOYZWKCSA-N -1 3 263.699 3.804 20 30 CHEDHM CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000763098395 1128350442 /nfs/dbraw/zinc/35/04/42/1128350442.db2.gz WRNZHEABALTJND-UDPFGDFPSA-N -1 3 297.782 3.585 20 30 CHEDHM N#CCc1cc(-c2cc([O-])cc(Cl)c2)ccc1C#N ZINC001235903690 1128387162 /nfs/dbraw/zinc/38/71/62/1128387162.db2.gz JRELYYWWQPKKOK-UHFFFAOYSA-N -1 3 268.703 3.650 20 30 CHEDHM CC(=NNc1cccc2ncccc21)c1cc(F)ccc1[O-] ZINC000915964781 1128400366 /nfs/dbraw/zinc/40/03/66/1128400366.db2.gz NZHWHQIJCURCOJ-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC[C@H]2CC ZINC001123443847 1128406848 /nfs/dbraw/zinc/40/68/48/1128406848.db2.gz GHCMIAADXUOTHN-VHSXEESVSA-N -1 3 295.408 3.601 20 30 CHEDHM CC(=NNCc1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000918152647 1128538172 /nfs/dbraw/zinc/53/81/72/1128538172.db2.gz JDYFJBJXRMKCJE-UHFFFAOYSA-N -1 3 292.741 3.699 20 30 CHEDHM CC(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000920173959 1128670075 /nfs/dbraw/zinc/67/00/75/1128670075.db2.gz HWMJCWYZFFYNQJ-VGOFMYFVSA-N -1 3 270.170 3.620 20 30 CHEDHM Cc1oc(C(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371890 1128675042 /nfs/dbraw/zinc/67/50/42/1128675042.db2.gz KDWNWVCXIFUZNH-UHFFFAOYSA-N -1 3 291.322 3.882 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1cccs1 ZINC000920944726 1128696416 /nfs/dbraw/zinc/69/64/16/1128696416.db2.gz INRYXYSBFRKXJK-DHDCSXOGSA-N -1 3 265.765 3.769 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2coc3ccccc23)c1 ZINC001203152377 1117776399 /nfs/dbraw/zinc/77/63/99/1117776399.db2.gz QTIMGZHPOFGUPY-UHFFFAOYSA-N -1 3 250.257 3.754 20 30 CHEDHM Cc1cc(Cl)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000254990512 1117938245 /nfs/dbraw/zinc/93/82/45/1117938245.db2.gz GEOVOOAERXUYHG-UHFFFAOYSA-N -1 3 277.707 3.516 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(F)cc2)ccc1[O-] ZINC000728230688 1118047306 /nfs/dbraw/zinc/04/73/06/1118047306.db2.gz FLEXIXWMROKGLV-YWEYNIOJSA-N -1 3 256.276 3.736 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccccc2C)ccc1[O-] ZINC000728231955 1118053050 /nfs/dbraw/zinc/05/30/50/1118053050.db2.gz OSFQZGAAKHKKJU-JXMROGBWSA-N -1 3 252.313 3.905 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(N(C)C)cc2)ccc1[O-] ZINC000728231644 1118055726 /nfs/dbraw/zinc/05/57/26/1118055726.db2.gz MRLJTNKMGCGZFZ-POHAHGRESA-N -1 3 281.355 3.663 20 30 CHEDHM Cc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728231256 1118059044 /nfs/dbraw/zinc/05/90/44/1118059044.db2.gz KNHPUDICVYMBML-CLFYSBASSA-N -1 3 252.313 3.905 20 30 CHEDHM N#Cc1cccc(Cl)c1Nc1ccc(F)cc1[O-] ZINC001210016501 1118132008 /nfs/dbraw/zinc/13/20/08/1118132008.db2.gz IVBNUBNNXCHUKE-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CSc2ccccc21 ZINC001649056946 1118284073 /nfs/dbraw/zinc/28/40/73/1118284073.db2.gz MIQLSXKIXIAXHG-ZDUSSCGKSA-N -1 3 279.405 3.674 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001649061189 1118293699 /nfs/dbraw/zinc/29/36/99/1118293699.db2.gz IAOWPOOGHHMGDC-RUXDESIVSA-N -1 3 255.402 3.857 20 30 CHEDHM N#Cc1cc(Nc2c(F)ccc(Cl)c2F)ccc1[O-] ZINC001210532889 1118315613 /nfs/dbraw/zinc/31/56/13/1118315613.db2.gz PFLVQDPXVCWKFQ-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC(=O)c1ccc(Nc2ccc(C)cc2C#N)cc1[O-] ZINC001210569372 1118328951 /nfs/dbraw/zinc/32/89/51/1118328951.db2.gz IFPMVVXMZOWTFO-UHFFFAOYSA-N -1 3 266.300 3.519 20 30 CHEDHM N#Cc1cccc(Nc2c([O-])cccc2Cl)c1F ZINC001215986293 1118675438 /nfs/dbraw/zinc/67/54/38/1118675438.db2.gz QMAQPRMAXPGPQX-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM COC1(C/N=C\c2cc(Cl)ccc2[O-])CCCCC1 ZINC000588506967 1119020107 /nfs/dbraw/zinc/02/01/07/1119020107.db2.gz OVJICILULGAYOZ-YVLHZVERSA-N -1 3 281.783 3.814 20 30 CHEDHM N#CC(=C([O-])c1cc2c(s1)CCCC2)c1ccccn1 ZINC000046705628 1119075990 /nfs/dbraw/zinc/07/59/90/1119075990.db2.gz PZQMNQMEBVFVIK-LBPRGKRZSA-N -1 3 282.368 3.512 20 30 CHEDHM CC(C)(C)c1cc(Nc2cc(C#N)c(F)cc2[O-])ccn1 ZINC001213168442 1119342200 /nfs/dbraw/zinc/34/22/00/1119342200.db2.gz HZVBBXUHPFBGFH-UHFFFAOYSA-N -1 3 285.322 3.839 20 30 CHEDHM CC(C)Oc1cccc(Nc2cc(C#N)ccc2[O-])c1F ZINC001212323767 1128847132 /nfs/dbraw/zinc/84/71/32/1128847132.db2.gz SUGJOUOTEOETMU-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM C=CC[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000187398393 1120019904 /nfs/dbraw/zinc/01/99/04/1120019904.db2.gz YUCRISSACLYYCX-ZDUSSCGKSA-N -1 3 285.318 3.830 20 30 CHEDHM C=CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205031979 1120154721 /nfs/dbraw/zinc/15/47/21/1120154721.db2.gz RWSXUOLPGFYZTQ-FXBHHXAOSA-N -1 3 267.328 3.809 20 30 CHEDHM C=CCO[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000837047869 1120404354 /nfs/dbraw/zinc/40/43/54/1120404354.db2.gz JPMLUZKOWRYHQV-UHFFFAOYSA-N -1 3 294.203 3.611 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CCc2cc(F)ccc21 ZINC001161826571 1120549238 /nfs/dbraw/zinc/54/92/38/1120549238.db2.gz GCTZYFHEMYAEGV-HNNXBMFYSA-N -1 3 279.355 3.654 20 30 CHEDHM CC[C@@H](Nc1cc(C)ccn1)c1cccc(C#N)c1[O-] ZINC000925724018 1120746862 /nfs/dbraw/zinc/74/68/62/1120746862.db2.gz VPIQIWQDHOMOFS-CQSZACIVSA-N -1 3 267.332 3.531 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000292761443 1121182552 /nfs/dbraw/zinc/18/25/52/1121182552.db2.gz KIYIEDKYSMBKKP-UHFFFAOYSA-N -1 3 293.235 3.533 20 30 CHEDHM CC(C)(C#N)c1ccc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262328 1121266269 /nfs/dbraw/zinc/26/62/69/1121266269.db2.gz DBRQROBUZGLZBT-UHFFFAOYSA-N -1 3 289.285 3.610 20 30 CHEDHM N#Cc1cc(Nc2cc(Cl)ccc2F)ccc1[O-] ZINC001175302765 1121275682 /nfs/dbraw/zinc/27/56/82/1121275682.db2.gz UFJDEIVIVXCYMY-UHFFFAOYSA-N 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KERUMZOXUWUGEL-UHFFFAOYSA-N -1 3 288.347 3.753 20 30 CHEDHM CCCCCCN([O-])C(=O)C[C@H](C)c1ccccc1OC ZINC001184305326 1122267190 /nfs/dbraw/zinc/26/71/90/1122267190.db2.gz GNMOPGSAGPXOPM-AWEZNQCLSA-N -1 3 293.407 3.987 20 30 CHEDHM CCCCN([O-])C(=O)c1oc2c(cccc2C)c1C ZINC001184314827 1122268062 /nfs/dbraw/zinc/26/80/62/1122268062.db2.gz MIGOLRNVGWYEBJ-UHFFFAOYSA-N -1 3 261.321 3.681 20 30 CHEDHM N#Cc1ccc(C=CN=c2[n-]sc3ncccc32)cc1 ZINC001203298217 1122818770 /nfs/dbraw/zinc/81/87/70/1122818770.db2.gz IPMLZNUAGIUMLG-VQHVLOKHSA-N -1 3 278.340 3.646 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccs1 ZINC000018917347 1123064616 /nfs/dbraw/zinc/06/46/16/1123064616.db2.gz DRERAFXZSPYLHA-FBHKUJJOSA-N -1 3 274.316 3.976 20 30 CHEDHM N#Cc1cc(Cl)c(Nc2cncc([O-])c2)c(Cl)c1 ZINC001201635360 1123129822 /nfs/dbraw/zinc/12/98/22/1123129822.db2.gz AWLUTZWOTVUIIC-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM Cc1ccccc1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001202177605 1123182128 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[O-]c1ccc(Cl)cc1/C=N\CC[C@@H]1CC1(F)F ZINC000856719975 1123565960 /nfs/dbraw/zinc/56/59/60/1123565960.db2.gz XXJJLFLQLAYNKA-UIKYOSCFSA-N -1 3 259.683 3.510 20 30 CHEDHM CCCCC(=O)[C@H](CCCC)Oc1cc(C#N)ccc1[O-] ZINC001227350255 1123722309 /nfs/dbraw/zinc/72/23/09/1123722309.db2.gz LVVCPYCNXZSTET-INIZCTEOSA-N -1 3 289.375 3.961 20 30 CHEDHM O=C1c2cccc(F)c2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794935474 1124084966 /nfs/dbraw/zinc/08/49/66/1124084966.db2.gz RQGILIVWMIMGDU-BQYQJAHWSA-N -1 3 290.240 3.632 20 30 CHEDHM O=C1c2cc(F)ccc2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794941528 1124093730 /nfs/dbraw/zinc/09/37/30/1124093730.db2.gz QKWHLDNEKNZIJV-TWGQIWQCSA-N -1 3 290.240 3.632 20 30 CHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1C ZINC000207527034 1124490023 /nfs/dbraw/zinc/49/00/23/1124490023.db2.gz LHDFWGARGJJEGM-DAXSKMNVSA-N -1 3 298.338 3.614 20 30 CHEDHM C=CCOc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001136388775 1131307409 /nfs/dbraw/zinc/30/74/09/1131307409.db2.gz CJQXKZYBUQXMDD-UHFFFAOYSA-N -1 3 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ZINC000769828350 1129927314 /nfs/dbraw/zinc/92/73/14/1129927314.db2.gz SDROKOVYVGGPOK-UHFFFAOYSA-N -1 3 276.286 3.815 20 30 CHEDHM C=CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000772243352 1130014509 /nfs/dbraw/zinc/01/45/09/1130014509.db2.gz KIQUNKIDDYTNPN-LLVKDONJSA-N -1 3 289.272 3.711 20 30 CHEDHM C[C@H](NCC(C)(C)C#N)c1cc(Cl)c(Cl)cc1[O-] ZINC000903101790 1130111304 /nfs/dbraw/zinc/11/13/04/1130111304.db2.gz MHQXXNQQVRQNRC-QMMMGPOBSA-N -1 3 287.190 3.899 20 30 CHEDHM COc1cccc(-c2ccc(/C(C)=N/[O-])cc2)c1OC ZINC001239817930 1130121760 /nfs/dbraw/zinc/12/17/60/1130121760.db2.gz MDAQYUSUFWEDBQ-GZTJUZNOSA-N -1 3 271.316 3.569 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2ccnc3ccccc32)c1 ZINC001239852535 1130134582 /nfs/dbraw/zinc/13/45/82/1130134582.db2.gz DZUQNTJSILVLSA-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM CCN(CC)C(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001239892484 1130148166 /nfs/dbraw/zinc/14/81/66/1130148166.db2.gz PZLUHKJHSRZIMT-UHFFFAOYSA-N -1 3 296.370 3.644 20 30 CHEDHM 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C=C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1 ZINC001227743386 1131732354 /nfs/dbraw/zinc/73/23/54/1131732354.db2.gz OCAHPCIDMQHCEP-HNNXBMFYSA-N -1 3 295.298 3.777 20 30 CHEDHM C=C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1 ZINC001227743386 1131732356 /nfs/dbraw/zinc/73/23/56/1131732356.db2.gz OCAHPCIDMQHCEP-HNNXBMFYSA-N -1 3 295.298 3.777 20 30 CHEDHM C=C[C@@H](Oc1ncc(Cl)cc1[O-])c1ccccc1 ZINC001227983978 1131782410 /nfs/dbraw/zinc/78/24/10/1131782410.db2.gz YAVGPAUURPDSDU-CYBMUJFWSA-N -1 3 261.708 3.747 20 30 CHEDHM C#C[C@H](CCC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155368 1131820261 /nfs/dbraw/zinc/82/02/61/1131820261.db2.gz SQWPLENGAXYPPQ-MRXNPFEDSA-N -1 3 294.350 3.804 20 30 CHEDHM Cc1coc([N-]C(=O)c2nc3ccc(C)cc3s2)c1C#N ZINC001147553853 1131828111 /nfs/dbraw/zinc/82/81/11/1131828111.db2.gz UHTCNMWPIWOVJJ-UHFFFAOYSA-N -1 3 297.339 3.630 20 30 CHEDHM N#Cc1ncc(Nc2cc(Cl)c(Cl)cc2[O-])cc1F ZINC001203059616 1131886649 /nfs/dbraw/zinc/88/66/49/1131886649.db2.gz DJGOJRNSJSQMBU-UHFFFAOYSA-N -1 3 298.104 3.848 20 30 CHEDHM C#CC[C@H](CC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959041 1131986284 /nfs/dbraw/zinc/98/62/84/1131986284.db2.gz RANMPRKLVBHXMH-ZDUSSCGKSA-N -1 3 274.360 3.899 20 30 CHEDHM CC#CC[C@@H](CC)Oc1cccc([O-])c1Br ZINC001229141838 1132026546 /nfs/dbraw/zinc/02/65/46/1132026546.db2.gz MYYDLTCNSLPJCR-SNVBAGLBSA-N -1 3 283.165 3.726 20 30 CHEDHM C=C[C@H](C)Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-] ZINC001229542792 1132085868 /nfs/dbraw/zinc/08/58/68/1132085868.db2.gz PGHFJLTWZIGESW-ZDUSSCGKSA-N -1 3 282.339 3.885 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229950932 1132135202 /nfs/dbraw/zinc/13/52/02/1132135202.db2.gz ONAJBEASYWEFNC-XEZPLFJOSA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229950932 1132135205 /nfs/dbraw/zinc/13/52/05/1132135205.db2.gz ONAJBEASYWEFNC-XEZPLFJOSA-N -1 3 298.390 3.626 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCOC2(CCC2)C1 ZINC000840708158 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CCCCCCN([O-])C(=O)[C@H](C)c1ccsc1 ZINC001161826988 1133032000 /nfs/dbraw/zinc/03/20/00/1133032000.db2.gz ROPVFADWYQUNJL-LLVKDONJSA-N -1 3 255.383 3.650 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1SCCc2sccc21 ZINC001161826558 1133032623 /nfs/dbraw/zinc/03/26/23/1133032623.db2.gz FTNRZXQHFNKNCJ-CYBMUJFWSA-N -1 3 299.461 3.877 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cc2c(ccnc2Cl)o1 ZINC001161826791 1133032782 /nfs/dbraw/zinc/03/27/82/1133032782.db2.gz LVXYLTPIZJMWOC-UHFFFAOYSA-N -1 3 296.754 3.893 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc3[nH]ccc32)c1 ZINC001203733707 1133361603 /nfs/dbraw/zinc/36/16/03/1133361603.db2.gz KNVNXQKEYPCXCM-UHFFFAOYSA-N -1 3 267.263 3.628 20 30 CHEDHM N#Cc1cc2[nH]ccc2c(-c2ccc([O-])cc2F)c1 ZINC001206073302 1133652822 /nfs/dbraw/zinc/65/28/22/1133652822.db2.gz SEVAAPAEUXISID-UHFFFAOYSA-N -1 3 252.248 3.551 20 30 CHEDHM Cc1cc(C#N)ccc1Nc1cccc(Cl)c1[O-] ZINC001210220347 1134169394 /nfs/dbraw/zinc/16/93/94/1134169394.db2.gz SJTGFTSZGMWMJG-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc3ccncc32)c1 ZINC001210232037 1134174042 /nfs/dbraw/zinc/17/40/42/1134174042.db2.gz XZPLFMZDRCXHDT-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM Cc1ccc(C#N)cc1Nc1cnc2cccc([O-])c2c1 ZINC001210500569 1134229776 /nfs/dbraw/zinc/22/97/76/1134229776.db2.gz CURGCKKNRMWXML-UHFFFAOYSA-N -1 3 275.311 3.864 20 30 CHEDHM Cc1cc(Nc2ccc([O-])c(Cl)c2)ccc1C#N ZINC001210807333 1134299888 /nfs/dbraw/zinc/29/98/88/1134299888.db2.gz BAPZVVZUXWPPLJ-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM CSc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001211065918 1134361439 /nfs/dbraw/zinc/36/14/39/1134361439.db2.gz HGMJLOMATQXAEM-UHFFFAOYSA-N -1 3 256.330 3.729 20 30 CHEDHM CC(C)(C)n1cc(C#N)cc1Nc1ccc(F)c([O-])c1 ZINC001211215073 1134393321 /nfs/dbraw/zinc/39/33/21/1134393321.db2.gz DWHDOTJASZTWGK-UHFFFAOYSA-N -1 3 273.311 3.703 20 30 CHEDHM Cc1ccc(F)c(Nc2cc(C#N)ccc2F)c1[O-] ZINC001215740833 1134670147 /nfs/dbraw/zinc/67/01/47/1134670147.db2.gz UCYSRXLAESJFAS-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1ccc(F)c(Nc2cc(C#N)ccc2C)c1[O-] ZINC001215740818 1134670595 /nfs/dbraw/zinc/67/05/95/1134670595.db2.gz SNLJVFDDJCOTFA-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM Cc1cc(Nc2c(F)cc(C#N)cc2F)cc([O-])c1F ZINC001216082768 1134771180 /nfs/dbraw/zinc/77/11/80/1134771180.db2.gz XSMLRMZLABEWPX-UHFFFAOYSA-N -1 3 278.233 3.733 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(N)cc2C(F)(F)F)c1 ZINC001216132449 1134788041 /nfs/dbraw/zinc/78/80/41/1134788041.db2.gz KJUBFGDDWHHZOX-UHFFFAOYSA-N -1 3 293.248 3.608 20 30 CHEDHM CCOc1cc(C)cc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001216368487 1134869009 /nfs/dbraw/zinc/86/90/09/1134869009.db2.gz SWMZLRUXTSJJDB-UHFFFAOYSA-N -1 3 286.306 3.854 20 30 CHEDHM COc1c(F)c(C)ccc1-c1cccc(/C=N/[O-])c1 ZINC001222311033 1135223068 /nfs/dbraw/zinc/22/30/68/1135223068.db2.gz ZUEZHFACRBBSDY-RQZCQDPDSA-N -1 3 259.280 3.618 20 30 CHEDHM CC[C@H](O/C(=N\[O-])c1ccccn1)c1ccccc1F ZINC001223976721 1135404525 /nfs/dbraw/zinc/40/45/25/1135404525.db2.gz YRJWLFWGDJZHBY-JZYMCLRRSA-N -1 3 274.295 3.524 20 30 CHEDHM Cc1cc(Sc2ccccc2[O-])c(C#N)cc1[N+](=O)[O-] ZINC000721067869 1135625740 /nfs/dbraw/zinc/62/57/40/1135625740.db2.gz ILOGCVXGMKUZFP-UHFFFAOYSA-N -1 3 286.312 3.632 20 30 CHEDHM C=C(C)C[C@H](Oc1cc(C(C)=O)ccc1[O-])C(=C)C ZINC001225993528 1135649605 /nfs/dbraw/zinc/64/96/05/1135649605.db2.gz HAQXSVOYLUMBEV-HNNXBMFYSA-N -1 3 260.333 3.885 20 30 CHEDHM C=CC[C@H](Oc1nc[n-]c(=O)c1C)c1ccc(Cl)cc1 ZINC001226077794 1135660966 /nfs/dbraw/zinc/66/09/66/1135660966.db2.gz WRNGUQGEGJXJFR-ZDUSSCGKSA-N -1 3 290.750 3.840 20 30 CHEDHM Cc1ccccc1OC[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114856 1135664423 /nfs/dbraw/zinc/66/44/23/1135664423.db2.gz RXFKDVCVMSBOHG-XWAFYUISSA-N -1 3 285.343 3.649 20 30 CHEDHM C=CC[C@@H](Oc1cnc[n-]c1=O)c1ccc(Cl)cc1 ZINC001227052044 1135778435 /nfs/dbraw/zinc/77/84/35/1135778435.db2.gz UKORZNIHXLUAOU-GFCCVEGCSA-N -1 3 276.723 3.532 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227345174 1135824056 /nfs/dbraw/zinc/82/40/56/1135824056.db2.gz KURMQYZCORFROI-GDBMZVCRSA-N -1 3 269.344 3.944 20 30 CHEDHM Cc1ccc2c(c1)[C@H](Oc1cc(C#N)ccc1[O-])CC2 ZINC001227345598 1135824161 /nfs/dbraw/zinc/82/41/61/1135824161.db2.gz OMDJWKCVJAVRDO-MRXNPFEDSA-N -1 3 265.312 3.639 20 30 CHEDHM CCOc1ccc([C@H](C)Oc2cc(C#N)ccc2[O-])cc1 ZINC001227351705 1135824528 /nfs/dbraw/zinc/82/45/28/1135824528.db2.gz XQOVFVGTQYYNEJ-LBPRGKRZSA-N -1 3 283.327 3.803 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@H]2CCc3c2cc(F)cc3F)c1 ZINC001227350220 1135825134 /nfs/dbraw/zinc/82/51/34/1135825134.db2.gz LPNQEVKUUQBHLX-HNNXBMFYSA-N -1 3 287.265 3.608 20 30 CHEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1Cl ZINC000103329863 261280138 /nfs/dbraw/zinc/28/01/38/261280138.db2.gz INNCMOCFMJPQPN-GFCCVEGCSA-N -1 3 270.719 3.534 20 30 CHEDHM CCc1cc(=O)[n-]c(CSCCCCC(C)(C)C#N)n1 ZINC000277537263 263041895 /nfs/dbraw/zinc/04/18/95/263041895.db2.gz DVNYSNMNDFMUDE-UHFFFAOYSA-N -1 3 293.436 3.698 20 30 CHEDHM O=C(NCCCC1CCCCC1)c1csc(=O)[n-]1 ZINC000330970462 264092161 /nfs/dbraw/zinc/09/21/61/264092161.db2.gz JMMHELHRWVPLBF-UHFFFAOYSA-N -1 3 268.382 3.514 20 30 CHEDHM C=CCCC[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000537073234 330396758 /nfs/dbraw/zinc/39/67/58/330396758.db2.gz PCZUDSVYLDCHMK-NSHDSACASA-N -1 3 274.393 3.704 20 30 CHEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000436756744 330684509 /nfs/dbraw/zinc/68/45/09/330684509.db2.gz FDBISURVGGQYDX-UHFFFAOYSA-N -1 3 281.355 3.529 20 30 CHEDHM CC(C)(C)c1nc(C=Cc2ccc(C#N)cc2)cc(=O)[n-]1 ZINC000470253895 331476792 /nfs/dbraw/zinc/47/67/92/331476792.db2.gz HCSCALMKHDXJFZ-CMDGGOBGSA-N -1 3 279.343 3.522 20 30 CHEDHM CC(C)(C)c1nc(C=Cc2ccc(C#N)cc2)cc(=O)[n-]1 ZINC000470253896 331476821 /nfs/dbraw/zinc/47/68/21/331476821.db2.gz HCSCALMKHDXJFZ-HJWRWDBZSA-N -1 3 279.343 3.522 20 30 CHEDHM C=CCC(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000489856816 332070270 /nfs/dbraw/zinc/07/02/70/332070270.db2.gz HQYZHVZITBZDQZ-UHFFFAOYSA-N -1 3 293.382 3.573 20 30 CHEDHM CC(C)(C)c1cccc(NC(=O)c2ccc(C#N)cc2)c1[O-] ZINC000185827525 333149587 /nfs/dbraw/zinc/14/95/87/333149587.db2.gz JVFVRIYZJCJDSK-UHFFFAOYSA-N -1 3 294.354 3.814 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000545930179 334007411 /nfs/dbraw/zinc/00/74/11/334007411.db2.gz JDATZNGQVPTWNX-SECBINFHSA-N -1 3 298.180 3.696 20 30 CHEDHM CCCC[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736441278 598437665 /nfs/dbraw/zinc/43/76/65/598437665.db2.gz OSFQXJPRDQRVIX-LBPRGKRZSA-N -1 3 298.394 3.625 20 30 CHEDHM CCCC[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736441278 598437667 /nfs/dbraw/zinc/43/76/67/598437667.db2.gz OSFQXJPRDQRVIX-LBPRGKRZSA-N -1 3 298.394 3.625 20 30 CHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000846536003 1131712817 /nfs/dbraw/zinc/71/28/17/1131712817.db2.gz PFJSYENGNNHMOJ-GFCCVEGCSA-N -1 3 281.783 3.533 20 30 CHEDHM CCCCCCCCCC(=O)NCc1ncccc1[O-] ZINC000792609569 1130478168 /nfs/dbraw/zinc/47/81/68/1130478168.db2.gz CMNKOVZIXUYHGG-UHFFFAOYSA-N -1 3 278.396 3.544 20 30 CHEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904192214 1126838090 /nfs/dbraw/zinc/83/80/90/1126838090.db2.gz DQWJORPNVHMNKO-QMMMGPOBSA-N -1 3 295.688 3.646 20 30 CHEDHM COc1cc(C=NOC2CCCCC2)cc(Cl)c1[O-] ZINC000777457154 1126938576 /nfs/dbraw/zinc/93/85/76/1126938576.db2.gz NCXMUMFJROPCKO-UHFFFAOYSA-N -1 3 283.755 3.737 20 30 CHEDHM COc1cc(-c2cc([O-])cc(Cl)c2)cc(F)c1C#N ZINC001235909718 1130804780 /nfs/dbraw/zinc/80/47/80/1130804780.db2.gz SYHLTFJLNXYVRP-UHFFFAOYSA-N -1 3 277.682 3.732 20 30 CHEDHM Cc1cc([O-])c(Cl)cc1O[C@@H](C#N)c1ccccc1 ZINC001233593777 1127994845 /nfs/dbraw/zinc/99/48/45/1127994845.db2.gz ZXRURXLUNVLYAC-HNNXBMFYSA-N -1 3 273.719 3.998 20 30 CHEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC001234144976 1128098154 /nfs/dbraw/zinc/09/81/54/1128098154.db2.gz YOUHWQBCYXOAPZ-SECBINFHSA-N -1 3 275.254 3.682 20 30 CHEDHM Cc1ccc([C@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000032070564 1128204524 /nfs/dbraw/zinc/20/45/24/1128204524.db2.gz ACRPRCUYRVUTLY-TWIVVOHQSA-N -1 3 289.762 3.507 20 30 CHEDHM C=C(CC(C)C)C(=O)Nc1c([O-])cccc1Cl ZINC001123891784 1128603879 /nfs/dbraw/zinc/60/38/79/1128603879.db2.gz LXYWZFZENYWASD-UHFFFAOYSA-N -1 3 253.729 3.586 20 30 CHEDHM N#C[C@@H]1CC=C(Nc2cccc([O-])c2Br)CC1 ZINC001212866816 1128729448 /nfs/dbraw/zinc/72/94/48/1128729448.db2.gz IDJQNBOSHQZLFE-SECBINFHSA-N -1 3 293.164 3.774 20 30 CHEDHM CN1Cc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2C1 ZINC000255001293 1117949298 /nfs/dbraw/zinc/94/92/98/1117949298.db2.gz WBZQBVUIGSEWNW-UHFFFAOYSA-N -1 3 286.762 3.742 20 30 CHEDHM N#Cc1ncc(Nc2ccc(F)cc2[O-])cc1C(F)(F)F ZINC001210015629 1118131544 /nfs/dbraw/zinc/13/15/44/1118131544.db2.gz KAKPCYXOEKEQEO-UHFFFAOYSA-N -1 3 297.211 3.560 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001649057325 1118285453 /nfs/dbraw/zinc/28/54/53/1118285453.db2.gz WCKRRVKSGKUGLN-ZDUSSCGKSA-N -1 3 281.371 3.802 20 30 CHEDHM CCCCN([O-])C(=O)C[C@H]1CCCc2ccccc21 ZINC001649061217 1118293670 /nfs/dbraw/zinc/29/36/70/1118293670.db2.gz ITBBIJPDCANRHM-CQSZACIVSA-N -1 3 261.365 3.515 20 30 CHEDHM CCCCN([O-])C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC001649061519 1118295377 /nfs/dbraw/zinc/29/53/77/1118295377.db2.gz PIYBHMVVECXHAY-ZDUSSCGKSA-N -1 3 263.381 3.761 20 30 CHEDHM CC[C@@H](CC(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649069879 1118312352 /nfs/dbraw/zinc/31/23/52/1118312352.db2.gz KPVHWDBXBDTVCU-ZDUSSCGKSA-N -1 3 267.344 3.616 20 30 CHEDHM C#Cc1cc(Nc2cccc([O-])c2Cl)ccc1F ZINC001210855418 1118411243 /nfs/dbraw/zinc/41/12/43/1118411243.db2.gz ZURQILDQCFNYBW-UHFFFAOYSA-N -1 3 261.683 3.910 20 30 CHEDHM CC(=NNc1cccc2cnccc21)c1ccc([O-])c(F)c1 ZINC000728432905 1118937301 /nfs/dbraw/zinc/93/73/01/1118937301.db2.gz ICJKEGPVBRYHSD-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM C=C(C)COc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255715581 1119733822 /nfs/dbraw/zinc/73/38/22/1119733822.db2.gz XMZBKQYAKUBISG-UHFFFAOYSA-N -1 3 299.326 3.509 20 30 CHEDHM CCCc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255767584 1119740945 /nfs/dbraw/zinc/74/09/45/1119740945.db2.gz GXOPXDXMZLUICQ-UHFFFAOYSA-N -1 3 271.316 3.507 20 30 CHEDHM N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1[O-] ZINC000065341651 1120341552 /nfs/dbraw/zinc/34/15/52/1120341552.db2.gz MFSBQMJFMSWPBN-UHFFFAOYSA-N -1 3 279.217 3.829 20 30 CHEDHM COc1ccc(Nc2cc([O-])cc(Cl)c2)c(C#N)c1 ZINC001176625483 1121663979 /nfs/dbraw/zinc/66/39/79/1121663979.db2.gz YJQLVAQUHMKNRA-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM Cc1ccc(C#N)c(Nc2cc([O-])cc(Cl)c2)c1 ZINC001176625246 1121664365 /nfs/dbraw/zinc/66/43/65/1121664365.db2.gz JXVMLFNHVYIGAR-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM CCCCCCCCCC(=O)Nc1n[n-]c(SC)n1 ZINC000727486670 1121722076 /nfs/dbraw/zinc/72/20/76/1121722076.db2.gz OLAYDPNLNHVTEC-UHFFFAOYSA-N -1 3 284.429 3.606 20 30 CHEDHM C#Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC001180210927 1121963537 /nfs/dbraw/zinc/96/35/37/1121963537.db2.gz QJNJQTYSGCJSBB-UHFFFAOYSA-N -1 3 291.350 3.505 20 30 CHEDHM CSc1cccc(N=Cc2ccc(O)c([O-])c2O)c1C ZINC000774541089 1122186158 /nfs/dbraw/zinc/18/61/58/1122186158.db2.gz JNCWDBXFQCPSDV-UHFFFAOYSA-N -1 3 289.356 3.584 20 30 CHEDHM CCCCN([O-])C(=O)c1oc2c(c1C)c(C)ccc2C ZINC001184314730 1122266636 /nfs/dbraw/zinc/26/66/36/1122266636.db2.gz IDUGHXTVMVWCHQ-UHFFFAOYSA-N -1 3 275.348 3.990 20 30 CHEDHM CCCCN([O-])C(=O)c1cc2cc(C)ccc2s1 ZINC001184314793 1122267985 /nfs/dbraw/zinc/26/79/85/1122267985.db2.gz KZOKGDKESNVXAO-UHFFFAOYSA-N -1 3 263.362 3.841 20 30 CHEDHM O=C([C@H]1CCCC12CC2)N([O-])Cc1ccccc1Cl ZINC001184284035 1122269951 /nfs/dbraw/zinc/26/99/51/1122269951.db2.gz WXMJAIZMEGDCDU-GFCCVEGCSA-N -1 3 279.767 3.638 20 30 CHEDHM Cc1cccc(C(C)(C)C)c1NC(=O)[N-]c1oncc1C#N ZINC001184582666 1122285795 /nfs/dbraw/zinc/28/57/95/1122285795.db2.gz NNKLANDOCCQLAL-UHFFFAOYSA-N -1 3 298.346 3.796 20 30 CHEDHM C=CCC[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000436630981 1122566819 /nfs/dbraw/zinc/56/68/19/1122566819.db2.gz RIOWDHZPHDAJJN-INIZCTEOSA-N -1 3 297.354 3.535 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(O)c1 ZINC000017995773 1122815939 /nfs/dbraw/zinc/81/59/39/1122815939.db2.gz WIHGUQPYBAUFPV-ZPBHHCQCSA-N -1 3 284.286 3.620 20 30 CHEDHM N#C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C1CCCCC1 ZINC000776362502 1123219792 /nfs/dbraw/zinc/21/97/92/1123219792.db2.gz FXBBTHHBBMVGIA-CYBMUJFWSA-N -1 3 288.372 3.859 20 30 CHEDHM COc1cccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000007333205 1123249235 /nfs/dbraw/zinc/24/92/35/1123249235.db2.gz MFXRGILJYYPMMM-PEHNMLCRSA-N -1 3 298.313 3.923 20 30 CHEDHM C[C@H](NCC1(C#N)CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000850552198 1123290022 /nfs/dbraw/zinc/29/00/22/1123290022.db2.gz YFALHEGFYGJJIH-NSHDSACASA-N -1 3 294.345 3.795 20 30 CHEDHM C=CCCO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000856035162 1123545020 /nfs/dbraw/zinc/54/50/20/1123545020.db2.gz XCFPGNJAFULQOX-CQSZACIVSA-N -1 3 291.391 3.593 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cc(C)ccc2F)ccc1[O-] ZINC000116609090 1123691245 /nfs/dbraw/zinc/69/12/45/1123691245.db2.gz NXKUPQGQYFDZGE-QPJJXVBHSA-N -1 3 286.302 3.744 20 30 CHEDHM C=CC[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000862545225 1123819750 /nfs/dbraw/zinc/81/97/50/1123819750.db2.gz LIXNQTDSHCAWDI-LLVKDONJSA-N -1 3 287.384 3.645 20 30 CHEDHM COCCCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863129852 1123846937 /nfs/dbraw/zinc/84/69/37/1123846937.db2.gz YDVKPINSKMRKHA-UHFFFAOYSA-N -1 3 290.392 3.507 20 30 CHEDHM [O-]c1ccc(F)c(C=NNc2cccc3cnccc32)c1F ZINC000794508950 1123856577 /nfs/dbraw/zinc/85/65/77/1123856577.db2.gz UYEVBZCVAPDXDE-UHFFFAOYSA-N -1 3 299.280 3.665 20 30 CHEDHM Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)s1 ZINC000794938190 1124085929 /nfs/dbraw/zinc/08/59/29/1124085929.db2.gz LQCRIBQEEIYWAD-HWKANZROSA-N -1 3 280.295 3.936 20 30 CHEDHM C=C[C@H](CC)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001122878348 1131303129 /nfs/dbraw/zinc/30/31/29/1131303129.db2.gz SXIJMDPGPLKSNW-MRVPVSSYSA-N -1 3 280.274 3.622 20 30 CHEDHM CCOc1cc(C=NNC(CC)CC)cc(Cl)c1[O-] ZINC000734366497 1129304469 /nfs/dbraw/zinc/30/44/69/1129304469.db2.gz UNPFLZZQRGKTGS-UHFFFAOYSA-N -1 3 284.787 3.556 20 30 CHEDHM CC(=NNc1cccc(F)c1F)c1ccc([O-])cc1F ZINC000743443324 1129524783 /nfs/dbraw/zinc/52/47/83/1129524783.db2.gz WLOYORQGGILVIF-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC000900091603 1129862951 /nfs/dbraw/zinc/86/29/51/1129862951.db2.gz CZNPMHURJVEYJQ-UHFFFAOYSA-N -1 3 281.311 3.773 20 30 CHEDHM O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N([O-])Cc1cccc2ccccc21 ZINC000901371038 1129917429 /nfs/dbraw/zinc/91/74/29/1129917429.db2.gz LDFIRJNWOHFXEF-BFYDXBDKSA-N -1 3 295.382 3.994 20 30 CHEDHM O=C(CCC(F)(F)F)N([O-])Cc1cccc2ccccc21 ZINC000901370718 1129917437 /nfs/dbraw/zinc/91/74/37/1129917437.db2.gz MKVIRHCYPYLHCP-UHFFFAOYSA-N -1 3 297.276 3.900 20 30 CHEDHM Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)n1C ZINC000901370734 1129917523 /nfs/dbraw/zinc/91/75/23/1129917523.db2.gz NDMCGVIPLGOSOR-UHFFFAOYSA-N -1 3 294.354 3.518 20 30 CHEDHM CC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901380366 1129919039 /nfs/dbraw/zinc/91/90/39/1129919039.db2.gz WMRNYAXURDSFBE-UHFFFAOYSA-N -1 3 274.147 3.511 20 30 CHEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000769762542 1129922429 /nfs/dbraw/zinc/92/24/29/1129922429.db2.gz JWJQEAWKEHWSCO-UHFFFAOYSA-N -1 3 293.366 3.657 20 30 CHEDHM CC(N=Nc1c(F)cccc1F)c1sccc1[O-] ZINC000769788895 1129925463 /nfs/dbraw/zinc/92/54/63/1129925463.db2.gz CRPRPZITJHYKMM-UHFFFAOYSA-N -1 3 268.288 3.568 20 30 CHEDHM Cc1ccc2ncc(/C=C/C(=O)c3ccc([O-])c(C)c3)n2c1 ZINC000771858217 1129994237 /nfs/dbraw/zinc/99/42/37/1129994237.db2.gz HSWYZWRFHLGNEQ-FNORWQNLSA-N -1 3 292.338 3.553 20 30 CHEDHM C[C@@H](NCC1(C#N)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903106872 1130113200 /nfs/dbraw/zinc/11/32/00/1130113200.db2.gz XLFMIVANCZWZLJ-MRVPVSSYSA-N -1 3 285.174 3.653 20 30 CHEDHM C=C[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000787311602 1130147084 /nfs/dbraw/zinc/14/70/84/1130147084.db2.gz WTYCDBIKLMRKRJ-LBPRGKRZSA-N -1 3 269.747 3.725 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2cc(F)cc3[nH]ccc32)c1 ZINC001240037143 1130202335 /nfs/dbraw/zinc/20/23/35/1130202335.db2.gz QNNMFYHVLMMNQC-UFWORHAWSA-N -1 3 272.254 3.921 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(C#N)cc2F)ccc1[O-] ZINC000772809304 1130478058 /nfs/dbraw/zinc/47/80/58/1130478058.db2.gz YAOYADOASHSIBK-DAXSKMNVSA-N -1 3 281.286 3.608 20 30 CHEDHM O=c1[n-]c(NCC#Cc2ccccc2)c(Cl)cc1Cl ZINC001170424129 1130513117 /nfs/dbraw/zinc/51/31/17/1130513117.db2.gz QLLLGRFFUCTFDT-UHFFFAOYSA-N -1 3 293.153 3.558 20 30 CHEDHM CCOc1cc(C=NN[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000793116072 1130522193 /nfs/dbraw/zinc/52/21/93/1130522193.db2.gz WEIKLVQVTIMZJX-JTQLQIEISA-N -1 3 298.814 3.802 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cccc3ncccc32)cc1F ZINC001240939518 1130525340 /nfs/dbraw/zinc/52/53/40/1130525340.db2.gz XIKVFTATVILFAU-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc([O-])cc(C#N)c2)O1 ZINC001234144526 1130612433 /nfs/dbraw/zinc/61/24/33/1130612433.db2.gz PLTFCNLVOUWBPI-DOTOQJQBSA-N -1 3 287.359 3.545 20 30 CHEDHM C=CCCCCCCC/N=C/c1c([O-])c(C)ncc1CO ZINC000811624951 1130624739 /nfs/dbraw/zinc/62/47/39/1130624739.db2.gz XRPZJJZBNQALHX-LDADJPATSA-N -1 3 290.407 3.533 20 30 CHEDHM N#C[C@H](Oc1c(Cl)ccc([O-])c1F)c1ccccc1 ZINC001234265514 1130626582 /nfs/dbraw/zinc/62/65/82/1130626582.db2.gz WMYDJYRFUQOVLA-LBPRGKRZSA-N -1 3 277.682 3.828 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cccc(F)c2C#N)ccc1[O-] ZINC000811689532 1130637443 /nfs/dbraw/zinc/63/74/43/1130637443.db2.gz GFMLOTRTALNXDU-YVMONPNESA-N -1 3 281.286 3.608 20 30 CHEDHM COc1cc(F)cc(NN=C(C)c2cc(F)ccc2[O-])c1 ZINC000759210062 1130643774 /nfs/dbraw/zinc/64/37/74/1130643774.db2.gz NDFTYUFNRGWFEJ-UHFFFAOYSA-N -1 3 292.285 3.515 20 30 CHEDHM CC(=NNc1cc(C)ccc1F)c1ccc([O-])cc1F ZINC000759652349 1130666549 /nfs/dbraw/zinc/66/65/49/1130666549.db2.gz HAENAPOMBOKZDP-UHFFFAOYSA-N -1 3 276.286 3.815 20 30 CHEDHM C=C[C@@H](CCCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693284 1130673215 /nfs/dbraw/zinc/67/32/15/1130673215.db2.gz VUFLAGBRIOUOSL-AWEZNQCLSA-N -1 3 284.359 3.973 20 30 CHEDHM N#CC[C@@H](Oc1nc2ccsc2[n-]1)c1ccccc1 ZINC001234847250 1130681547 /nfs/dbraw/zinc/68/15/47/1130681547.db2.gz HLBUJSKEEQPKKP-GFCCVEGCSA-N -1 3 269.329 3.658 20 30 CHEDHM N#Cc1cc(-c2ccc([O-])cc2Cl)ncc1C(F)(F)F ZINC001245080124 1130788920 /nfs/dbraw/zinc/78/89/20/1130788920.db2.gz YYAASECFQWVVMF-UHFFFAOYSA-N -1 3 298.651 3.998 20 30 CHEDHM C#CC[C@H](NCc1cccc([O-])c1Cl)c1ccccc1 ZINC000815133447 1130964630 /nfs/dbraw/zinc/96/46/30/1130964630.db2.gz ZEYSJZPUXXWNDF-HNNXBMFYSA-N -1 3 285.774 3.900 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000846556129 1131713639 /nfs/dbraw/zinc/71/36/39/1131713639.db2.gz YEPHZCSFJNZNFL-HZSPNIEDSA-N -1 3 273.376 3.598 20 30 CHEDHM CC[C@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC001171255482 1131751118 /nfs/dbraw/zinc/75/11/18/1131751118.db2.gz NBAUJOGAFFDBRQ-OAHLLOKOSA-N -1 3 294.354 3.552 20 30 CHEDHM C#C[C@@H](C)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228125704 1131814763 /nfs/dbraw/zinc/81/47/63/1131814763.db2.gz SZYWQMAMKVLMDW-CQSZACIVSA-N -1 3 292.338 3.898 20 30 CHEDHM C=C[C@@H](C)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228152339 1131819539 /nfs/dbraw/zinc/81/95/39/1131819539.db2.gz NAESLBZRUJZXBL-GFCCVEGCSA-N -1 3 268.312 3.577 20 30 CHEDHM Cc1ccc(C(=O)Nc2ccc([C@H](C)C#N)cc2)c([O-])c1 ZINC001148500568 1131860258 /nfs/dbraw/zinc/86/02/58/1131860258.db2.gz PVYVNEZUWBGNQJ-GFCCVEGCSA-N -1 3 280.327 3.580 20 30 CHEDHM C=CCO[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000837048523 1132030156 /nfs/dbraw/zinc/03/01/56/1132030156.db2.gz TZVXIZCXWWUTMY-CYBMUJFWSA-N -1 3 261.365 3.537 20 30 CHEDHM CC[C@@H](COc1ccccc1/C=N/c1ccccc1[O-])OC ZINC001229937202 1132133932 /nfs/dbraw/zinc/13/39/32/1132133932.db2.gz JIRPFURWDWWQQG-UZUMKDMXSA-N -1 3 299.370 3.947 20 30 CHEDHM CCCCCCCN(C)Cc1cc(C(=O)[O-])ccc1F ZINC001231457050 1132297010 /nfs/dbraw/zinc/29/70/10/1132297010.db2.gz CWIFNEIPJYSJGJ-UHFFFAOYSA-N -1 3 281.371 3.926 20 30 CHEDHM CCCCN(CCC#N)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232265155 1132446526 /nfs/dbraw/zinc/44/65/26/1132446526.db2.gz QUWMYAFGKSDVTH-UHFFFAOYSA-N -1 3 296.798 3.570 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCc2cc(F)ccc21 ZINC001233528143 1132632680 /nfs/dbraw/zinc/63/26/80/1132632680.db2.gz DSCHMEPRNYHHLF-SFHVURJKSA-N -1 3 295.313 3.988 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CC2CCC1CC2 ZINC001233526125 1132632954 /nfs/dbraw/zinc/63/29/54/1132632954.db2.gz ZMHSBGZUHSVDTF-QWQCLYJRSA-N -1 3 269.344 3.740 20 30 CHEDHM N#CC=C([O-])c1ccccc1OC1CCCCCC1 ZINC001233525285 1132632886 /nfs/dbraw/zinc/63/28/86/1132632886.db2.gz TVOMFDWSJXWUML-UHFFFAOYSA-N -1 3 257.333 3.885 20 30 CHEDHM C=C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233680361 1132664259 /nfs/dbraw/zinc/66/42/59/1132664259.db2.gz IOVPQNGBNCNZRP-INIZCTEOSA-N -1 3 266.296 3.568 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2ccccc21 ZINC001233799320 1132680309 /nfs/dbraw/zinc/68/03/09/1132680309.db2.gz HXSYDMUNPOKJIC-CLXYIWAZSA-N -1 3 283.327 3.570 20 30 CHEDHM C=CC[C@@H](CCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801878 1132682048 /nfs/dbraw/zinc/68/20/48/1132682048.db2.gz DIKUEAVYHMLYCY-XDUBLRSXSA-N -1 3 263.337 3.627 20 30 CHEDHM Cc1ccccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001161802484 1133030539 /nfs/dbraw/zinc/03/05/39/1133030539.db2.gz YFEXXVBKFIRTHT-UHFFFAOYSA-N -1 3 275.735 3.680 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](CC)OC1CCCCC1 ZINC001161827165 1133033050 /nfs/dbraw/zinc/03/30/50/1133033050.db2.gz WFJCDWFSTSKJMQ-HNNXBMFYSA-N -1 3 285.428 3.912 20 30 CHEDHM Cc1ncccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001161842858 1133035554 /nfs/dbraw/zinc/03/55/54/1133035554.db2.gz QUYTZGXLHHOGDT-UHFFFAOYSA-N -1 3 292.338 3.575 20 30 CHEDHM Cc1ccc(-c2ccc([O-])cc2C(F)(F)F)c(C#N)n1 ZINC001205092844 1133527207 /nfs/dbraw/zinc/52/72/07/1133527207.db2.gz OXHINTMNKHOKCQ-UHFFFAOYSA-N -1 3 278.233 3.653 20 30 CHEDHM CC(C)(C)Oc1ncccc1Nc1cc(C#N)ccc1[O-] ZINC001206501379 1133711933 /nfs/dbraw/zinc/71/19/33/1133711933.db2.gz ULWXVWPGINRSKI-UHFFFAOYSA-N -1 3 283.331 3.580 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(O)c(C(F)(F)F)c2)c1 ZINC001209985738 1134116631 /nfs/dbraw/zinc/11/66/31/1134116631.db2.gz HWAXAPKRWHZPGT-UHFFFAOYSA-N -1 3 294.232 3.732 20 30 CHEDHM Cc1cc(C#N)c(F)cc1Nc1ccc(F)cc1[O-] ZINC001210019961 1134124085 /nfs/dbraw/zinc/12/40/85/1134124085.db2.gz XRNLSXHFKKNWRB-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CC(=O)c1cccc([O-])c1Nc1cc(C#N)ccc1C ZINC001210502434 1134232361 /nfs/dbraw/zinc/23/23/61/1134232361.db2.gz SNOCGDGNQBZCFA-UHFFFAOYSA-N -1 3 266.300 3.519 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(OC3CC3)c2)c1 ZINC001210864480 1134318105 /nfs/dbraw/zinc/31/81/05/1134318105.db2.gz SARJPONJZPHIQG-UHFFFAOYSA-N -1 3 266.300 3.549 20 30 CHEDHM N#Cc1c2c(sc1[N-]c1nccs1)CCCC2 ZINC001210987294 1134343381 /nfs/dbraw/zinc/34/33/81/1134343381.db2.gz LQRRBSOKWKDSEI-UHFFFAOYSA-N -1 3 261.375 3.699 20 30 CHEDHM Cc1cc(C#N)c(F)cc1Nc1ccc(F)c([O-])c1 ZINC001211220410 1134395084 /nfs/dbraw/zinc/39/50/84/1134395084.db2.gz HSWARJIDSKWRRG-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM N#Cc1cc(Nc2c(Cl)ccc(F)c2F)ccc1[O-] ZINC001213950302 1134498419 /nfs/dbraw/zinc/49/84/19/1134498419.db2.gz VKWAFKXLKMCSIV-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1ccc(F)c(Nc2cnc3cccc([O-])c3c2)c1 ZINC001214595894 1134555177 /nfs/dbraw/zinc/55/51/77/1134555177.db2.gz CKYJCTDXPYZDAQ-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM COCOc1cc(C)c(Nc2cc(C#N)ccc2[O-])c(C)c1 ZINC001215166238 1134603756 /nfs/dbraw/zinc/60/37/56/1134603756.db2.gz OTYMKOKIELVOEK-UHFFFAOYSA-N -1 3 298.342 3.607 20 30 CHEDHM N#Cc1cc(Nc2cc(Cl)ccc2[O-])ccc1F ZINC001216399604 1134882272 /nfs/dbraw/zinc/88/22/72/1134882272.db2.gz IGSQJYLBAJPUKZ-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM C=CC[C@H](Oc1cc(C(F)(F)F)[n-]c(=S)n1)C(C)C ZINC001225850542 1135630044 /nfs/dbraw/zinc/63/00/44/1135630044.db2.gz MMMKSIPLCGFQQI-QMMMGPOBSA-N -1 3 292.326 3.764 20 30 CHEDHM [O-]/N=C/c1cccc(OC2CCC(C(F)(F)F)CC2)c1 ZINC001226110626 1135663520 /nfs/dbraw/zinc/66/35/20/1135663520.db2.gz SUOFAYCWLDSAQF-GIJQJNRQSA-N -1 3 287.281 3.995 20 30 CHEDHM C=C[C@@H](CCCC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118186 1135665055 /nfs/dbraw/zinc/66/50/55/1135665055.db2.gz CFTXUTHJHGMCMA-NSHDSACASA-N -1 3 264.394 3.766 20 30 CHEDHM CC[C@H](C#Cc1ccccc1)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226342876 1135686022 /nfs/dbraw/zinc/68/60/22/1135686022.db2.gz ZHNRJSMVECHPJW-CQSZACIVSA-N -1 3 297.310 3.510 20 30 CHEDHM C=C(C)C[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)C(=C)C ZINC001226482236 1135702692 /nfs/dbraw/zinc/70/26/92/1135702692.db2.gz LBXFVOWWUBCEQL-CQSZACIVSA-N -1 3 276.332 3.590 20 30 CHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1c(F)cccc1F ZINC001227344846 1135823431 /nfs/dbraw/zinc/82/34/31/1135823431.db2.gz FLSUJSRCRNPGBV-SECBINFHSA-N -1 3 275.254 3.682 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC001227350223 1135824749 /nfs/dbraw/zinc/82/47/49/1135824749.db2.gz LPNQEVKUUQBHLX-OAHLLOKOSA-N -1 3 287.265 3.608 20 30 CHEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc(C#N)ccc2[O-])O1 ZINC001227351848 1135825302 /nfs/dbraw/zinc/82/53/02/1135825302.db2.gz ZCVLWZVFLUABNI-DOTOQJQBSA-N -1 3 287.359 3.545 20 30 CHEDHM C[C@@H](CC(C)(C)S)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227582583 1135848185 /nfs/dbraw/zinc/84/81/85/1135848185.db2.gz BINLIZKNRVFPTA-ZETCQYMHSA-N -1 3 295.326 3.672 20 30 CHEDHM CCc1nc(C(C)C)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000344741030 529716713 /nfs/dbraw/zinc/71/67/13/529716713.db2.gz OKFMAQMHRXDYFF-CQSZACIVSA-N -1 3 293.370 3.652 20 30 CHEDHM C[C@@H](C#N)CN(Cc1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000356115531 533150961 /nfs/dbraw/zinc/15/09/61/533150961.db2.gz SSQCGVQBVPQXRI-JTQLQIEISA-N -1 3 298.308 3.535 20 30 CHEDHM N#CC(=C([O-])c1cc(F)c2ccccc2c1)c1ccccn1 ZINC000344728821 225144698 /nfs/dbraw/zinc/14/46/98/225144698.db2.gz DKYJBDNXLDNYDV-HNNXBMFYSA-N -1 3 290.297 3.864 20 30 CHEDHM Cc1cccc([O-])c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000334767226 225313711 /nfs/dbraw/zinc/31/37/11/225313711.db2.gz VUWZBNMNARMOKY-UHFFFAOYSA-N -1 3 294.354 3.754 20 30 CHEDHM [O-]c1ccccc1/C=N/[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000154233948 261089150 /nfs/dbraw/zinc/08/91/50/261089150.db2.gz VQHJXYNTPSJJGW-KLHWEVKASA-N -1 3 281.355 3.731 20 30 CHEDHM CCC1(NC(=O)c2ccc(C(C)C)cc2[O-])CCOCC1 ZINC000331232192 264152840 /nfs/dbraw/zinc/15/28/40/264152840.db2.gz IYHLXYRWZVRLIN-UHFFFAOYSA-N -1 3 291.391 3.779 20 30 CHEDHM Cc1cc(Cl)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000132200854 327461792 /nfs/dbraw/zinc/46/17/92/327461792.db2.gz MCOMOMJRBQAZSB-ZDUSSCGKSA-N -1 3 270.719 3.534 20 30 CHEDHM CC(C)(C)c1csc([N-]C(=O)c2ccco2)c1C#N ZINC000075296631 329866342 /nfs/dbraw/zinc/86/63/42/329866342.db2.gz RUSXYGHCONTVEU-UHFFFAOYSA-N -1 3 274.345 3.763 20 30 CHEDHM C=C(C)C(C)(C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000424356137 330346336 /nfs/dbraw/zinc/34/63/36/330346336.db2.gz KYHHIHZTSQVPCN-UHFFFAOYSA-N -1 3 288.347 3.695 20 30 CHEDHM C=CC[C@H]1N(C(=O)c2cccc([O-])c2)CCCC1(C)C ZINC000444645168 330816296 /nfs/dbraw/zinc/81/62/96/330816296.db2.gz OUVCICLMSZNECS-OAHLLOKOSA-N -1 3 273.376 3.599 20 30 CHEDHM C=C(C)CN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450464834 330981671 /nfs/dbraw/zinc/98/16/71/330981671.db2.gz CJIKFSMYGNCSIZ-UHFFFAOYSA-N -1 3 283.371 3.513 20 30 CHEDHM CSc1ccccc1[N-]C(=O)c1cc(C#N)cs1 ZINC000084059107 334269589 /nfs/dbraw/zinc/26/95/89/334269589.db2.gz JTIUWPFEQDGTIK-UHFFFAOYSA-N -1 3 274.370 3.594 20 30 CHEDHM C=CCCOCCCCC(=O)Nc1c([O-])cccc1Cl ZINC000576410974 335200769 /nfs/dbraw/zinc/20/07/69/335200769.db2.gz QGUXTPBKCYUSFX-UHFFFAOYSA-N -1 3 297.782 3.747 20 30 CHEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)s2)c1[O-] ZINC000340328339 524876017 /nfs/dbraw/zinc/87/60/17/524876017.db2.gz TZPIORZSRDEBJB-UHFFFAOYSA-N -1 3 292.747 3.540 20 30 CHEDHM CC(C)(CNC(=O)c1csc(=O)[n-]1)C1=CCCCC1 ZINC000329993702 526949125 /nfs/dbraw/zinc/94/91/25/526949125.db2.gz YQOCZWDJEMYNNE-UHFFFAOYSA-N -1 3 280.393 3.680 20 30 CHEDHM CC1(CNC(=O)c2csc(=O)[n-]2)CCCCCC1 ZINC000329978440 527902112 /nfs/dbraw/zinc/90/21/12/527902112.db2.gz HOYKUIRLDFVLOE-UHFFFAOYSA-N -1 3 268.382 3.514 20 30 CHEDHM C=CCCCCCN(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001573367101 963062884 /nfs/dbraw/zinc/06/28/84/963062884.db2.gz RWIAURJORJHYMZ-KHPPLWFESA-N -1 3 277.364 3.556 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001161826591 1120548742 /nfs/dbraw/zinc/54/87/42/1120548742.db2.gz GTFQBEXRNVKAKP-ZSOGYDGISA-N -1 3 253.386 3.611 20 30 CHEDHM CCCCN(CCC#N)Cc1ccc(Cl)cc1[O-] ZINC001140465987 1131750749 /nfs/dbraw/zinc/75/07/49/1131750749.db2.gz XWBRVBAAYHNKOL-UHFFFAOYSA-N -1 3 266.772 3.561 20 30 CHEDHM N#Cc1cc(F)c(Nc2cccc(Cl)c2[O-])cc1F ZINC001210218553 1134169421 /nfs/dbraw/zinc/16/94/21/1134169421.db2.gz AJCUBFKQNYKVDN-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000904206849 1126837256 /nfs/dbraw/zinc/83/72/56/1126837256.db2.gz LAFVFPLJDXSOMU-AWEZNQCLSA-N -1 3 283.412 3.524 20 30 CHEDHM N#CCCN(Cc1cc(F)c(Cl)cc1[O-])C1CCCC1 ZINC001237937965 1131154017 /nfs/dbraw/zinc/15/40/17/1131154017.db2.gz VYMCHDFLMSJKIB-UHFFFAOYSA-N -1 3 296.773 3.843 20 30 CHEDHM C[C@@H](NCc1cccc([O-])c1Cl)c1cccc(C#N)c1 ZINC000590186876 1127250840 /nfs/dbraw/zinc/25/08/40/1127250840.db2.gz RBYYYQWYUANWFR-LLVKDONJSA-N -1 3 286.762 3.768 20 30 CHEDHM N#Cc1nc(Sc2ccc([O-])cc2)sc1Cl ZINC000590574092 1127263962 /nfs/dbraw/zinc/26/39/62/1127263962.db2.gz ARDYZBZPQJOHIH-UHFFFAOYSA-N -1 3 268.750 3.525 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cc(C)cc(C)c2)ccc1[O-] ZINC000060132634 1127504336 /nfs/dbraw/zinc/50/43/36/1127504336.db2.gz CJJLDLKBWVUXFV-GQCTYLIASA-N -1 3 282.339 3.914 20 30 CHEDHM CCc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C(C)C ZINC000601950505 1127553315 /nfs/dbraw/zinc/55/33/15/1127553315.db2.gz VGONQBQMUOJXEI-CQSZACIVSA-N -1 3 289.766 3.596 20 30 CHEDHM N#Cc1ccccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000011810477 1127808482 /nfs/dbraw/zinc/80/84/82/1127808482.db2.gz LIUZEYLDGBKVPW-UHFFFAOYSA-N -1 3 295.125 3.550 20 30 CHEDHM CCCCCCCCSc1nc2nncc-2c(O)[n-]1 ZINC000915794625 1128339032 /nfs/dbraw/zinc/33/90/32/1128339032.db2.gz FSRNVUCQQQRJDE-UHFFFAOYSA-N -1 3 280.397 3.511 20 30 CHEDHM COc1cc(C=NNc2ccccc2)cc(Cl)c1[O-] ZINC000916247143 1128413778 /nfs/dbraw/zinc/41/37/78/1128413778.db2.gz DBCKGPJVHXJVIV-UHFFFAOYSA-N -1 3 276.723 3.500 20 30 CHEDHM Cc1ccc2c(c1)[C@@H](/N=C\c1cc(Cl)ccc1[O-])CO2 ZINC000763097039 1128350997 /nfs/dbraw/zinc/35/09/97/1128350997.db2.gz NFZMQOHOYVBXAP-RQRKTLAASA-N -1 3 287.746 3.907 20 30 CHEDHM CCCCNN=C(C)c1ccc2ccccc2c1[O-] ZINC000915970091 1128398138 /nfs/dbraw/zinc/39/81/38/1128398138.db2.gz XHBAANZRASIZPP-UHFFFAOYSA-N -1 3 256.349 3.659 20 30 CHEDHM COc1cc(C(=O)/C=C/c2ccc(F)cc2F)ccc1[O-] ZINC000041106841 1128535683 /nfs/dbraw/zinc/53/56/83/1128535683.db2.gz PQVRNZWRKXSHTG-ZZXKWVIFSA-N -1 3 290.265 3.575 20 30 CHEDHM N#CC1(c2ccc(Nc3cc(F)c([O-])c(F)c3)cc2)CC1 ZINC001212256614 1128711660 /nfs/dbraw/zinc/71/16/60/1128711660.db2.gz VAOOGXOHBMLPIN-UHFFFAOYSA-N -1 3 286.281 3.969 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(C3(C#N)CC3)cc2)c1 ZINC001212258251 1128714258 /nfs/dbraw/zinc/71/42/58/1128714258.db2.gz UHGCYTSLZISPFK-UHFFFAOYSA-N -1 3 275.311 3.563 20 30 CHEDHM CC(=O)Nc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728232041 1118052235 /nfs/dbraw/zinc/05/22/35/1118052235.db2.gz RICUJCGFKYIFAU-UITAMQMPSA-N -1 3 295.338 3.555 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(F)cc2F)ccc1[O-] ZINC000728232070 1118052596 /nfs/dbraw/zinc/05/25/96/1118052596.db2.gz RZZSZCWDQSHBKP-XVNBXDOJSA-N -1 3 274.266 3.875 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000728231986 1118052890 /nfs/dbraw/zinc/05/28/90/1118052890.db2.gz PLORLBZRYGHAFP-TWGQIWQCSA-N -1 3 283.283 3.505 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000728232922 1118063478 /nfs/dbraw/zinc/06/34/78/1118063478.db2.gz YBZWIASWSDQJJC-YWEYNIOJSA-N -1 3 283.283 3.505 20 30 CHEDHM N#Cc1nc2ccc(Nc3cccc(F)c3[O-])cc2s1 ZINC001210198576 1118190974 /nfs/dbraw/zinc/19/09/74/1118190974.db2.gz ZDCBJFRQPYIMFS-UHFFFAOYSA-N -1 3 285.303 3.756 20 30 CHEDHM Cc1ccc([O-])c(C(=O)N(O)CCCCc2ccccc2)c1 ZINC001649046286 1118265794 /nfs/dbraw/zinc/26/57/94/1118265794.db2.gz QPQACVPHTQWGLY-UHFFFAOYSA-N -1 3 299.370 3.555 20 30 CHEDHM C=C[C@@H](CC)CC(=O)N([O-])Cc1ccccc1Cl ZINC001649046241 1118266883 /nfs/dbraw/zinc/26/68/83/1118266883.db2.gz ONSCIJHIDZCARV-NSHDSACASA-N -1 3 267.756 3.660 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1cn(C)c2ccccc12 ZINC001649057349 1118284195 /nfs/dbraw/zinc/28/41/95/1118284195.db2.gz WTBBMCOMXUZSPV-UHFFFAOYSA-N -1 3 288.391 3.519 20 30 CHEDHM CCc1occc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000430513927 1118503078 /nfs/dbraw/zinc/50/30/78/1118503078.db2.gz ZLCICCSSNWHTSL-LBPRGKRZSA-N -1 3 293.326 3.517 20 30 CHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2)s1 ZINC000430588245 1118576440 /nfs/dbraw/zinc/57/64/40/1118576440.db2.gz CLCFTOURZHPLAV-LBPRGKRZSA-N -1 3 284.384 3.931 20 30 CHEDHM CC(=NNc1ccc(F)cc1F)c1ccc([O-])c(F)c1 ZINC000728430247 1118932708 /nfs/dbraw/zinc/93/27/08/1118932708.db2.gz PMUSKDMFLGKWCU-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(OC)c2)ccc1C ZINC000588599085 1119529148 /nfs/dbraw/zinc/52/91/48/1119529148.db2.gz HKFHPYVNJBPVJB-VURMDHGXSA-N -1 3 298.338 3.614 20 30 CHEDHM C=CC[C@H]1CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC000617779096 1128872929 /nfs/dbraw/zinc/87/29/29/1128872929.db2.gz VKZDERUTGKOMSD-LBPRGKRZSA-N -1 3 291.416 3.542 20 30 CHEDHM C=CC[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085748 1120143395 /nfs/dbraw/zinc/14/33/95/1120143395.db2.gz QGPLQMIKTACUCW-QMMMGPOBSA-N -1 3 280.274 3.622 20 30 CHEDHM Cc1sc(Nc2cc(F)cc(F)c2[O-])c(C#N)c1C ZINC001212477407 1120353228 /nfs/dbraw/zinc/35/32/28/1120353228.db2.gz CTWDCLHJNHAAQS-UHFFFAOYSA-N -1 3 280.299 3.964 20 30 CHEDHM N#Cc1ccc(Cl)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212488947 1120375297 /nfs/dbraw/zinc/37/52/97/1120375297.db2.gz ALEJFLKGNXIRHD-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000417634907 1120466366 /nfs/dbraw/zinc/46/63/66/1120466366.db2.gz ZGAYPYSTYFYWHQ-LLVKDONJSA-N -1 3 288.174 3.502 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001161826520 1120549019 /nfs/dbraw/zinc/54/90/19/1120549019.db2.gz DNFSCQDWCPCQEA-MELADBBJSA-N -1 3 253.386 3.611 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cccc(F)c2F)ccc1[O-] ZINC000078561209 1128948525 /nfs/dbraw/zinc/94/85/25/1128948525.db2.gz GKXPKKPXDBCGSQ-FNORWQNLSA-N -1 3 290.265 3.575 20 30 CHEDHM CCOc1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175006405 1121130388 /nfs/dbraw/zinc/13/03/88/1121130388.db2.gz WQYOHWZWMYKKTD-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM CCc1cc(C#N)ccc1Nc1c(F)cc([O-])cc1F ZINC001175100636 1121164500 /nfs/dbraw/zinc/16/45/00/1121164500.db2.gz ZTSZGVDDMXFYTE-UHFFFAOYSA-N -1 3 274.270 3.848 20 30 CHEDHM CCOc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1F ZINC001175152413 1121186391 /nfs/dbraw/zinc/18/63/91/1121186391.db2.gz PKWCBXPIRQKBLB-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM COc1cccc(Nc2cc(C#N)ccc2[O-])c1Cl ZINC001175899488 1121493665 /nfs/dbraw/zinc/49/36/65/1121493665.db2.gz STSPWWLPEJBDBC-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1cc(F)c(Nc2cc([O-])cc(Cl)c2)cc1F ZINC001176624456 1121663600 /nfs/dbraw/zinc/66/36/00/1121663600.db2.gz HXFHNTYOTKNLNY-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CCCCN([O-])C(=O)c1sc(-c2ccccc2)nc1C ZINC001184315339 1122268108 /nfs/dbraw/zinc/26/81/08/1122268108.db2.gz XIEXJGABIZFKSW-UHFFFAOYSA-N -1 3 290.388 3.750 20 30 CHEDHM CCCCCCN([O-])C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001184315430 1122268364 /nfs/dbraw/zinc/26/83/64/1122268364.db2.gz ZANMDOQAPQTTBE-SNVBAGLBSA-N -1 3 282.211 3.759 20 30 CHEDHM C/C=C(\CC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339491 1122271885 /nfs/dbraw/zinc/27/18/85/1122271885.db2.gz FNQPQGQBKHVNLJ-QLKAYGNNSA-N -1 3 269.344 3.914 20 30 CHEDHM O=C([C@H]1CCC=CCCC1)N([O-])Cc1ccc(F)cc1 ZINC001184349132 1122273509 /nfs/dbraw/zinc/27/35/09/1122273509.db2.gz WLHSXYKDZKMJIT-AWEZNQCLSA-N -1 3 277.339 3.680 20 30 CHEDHM C=C(C)C(C)(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000424731779 1122340031 /nfs/dbraw/zinc/34/00/31/1122340031.db2.gz GNOZWKYPRWKODR-UHFFFAOYSA-N -1 3 287.281 3.952 20 30 CHEDHM N#Cc1cc(-c2ccccc2)oc1[N-]c1cnoc1 ZINC001203233042 1122411498 /nfs/dbraw/zinc/41/14/98/1122411498.db2.gz MOJPJQLAXKMRRS-UHFFFAOYSA-N -1 3 251.245 3.550 20 30 CHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cccc3ccccc32)o1 ZINC001188912703 1122480104 /nfs/dbraw/zinc/48/01/04/1122480104.db2.gz LXEOABRVAFFENH-UHFFFAOYSA-N -1 3 292.298 3.652 20 30 CHEDHM Cc1noc([N-]C(=O)Nc2ccc(C(C)(C)C)cc2)c1C#N ZINC001191125653 1122574995 /nfs/dbraw/zinc/57/49/95/1122574995.db2.gz LDQUADQSPQDKRX-UHFFFAOYSA-N -1 3 298.346 3.796 20 30 CHEDHM CCCCCCC[C@H](C)NC(=O)Nc1cncc([O-])c1 ZINC001192919948 1122663139 /nfs/dbraw/zinc/66/31/39/1122663139.db2.gz KYHIJUWYNURTSN-LBPRGKRZSA-N -1 3 279.384 3.658 20 30 CHEDHM Cc1cc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1 ZINC000429607454 1122728246 /nfs/dbraw/zinc/72/82/46/1122728246.db2.gz VJTLCIIGZOUQRZ-LBPRGKRZSA-N -1 3 293.326 3.571 20 30 CHEDHM C[C@H](CCO)C1(C/N=C/c2cc(Cl)ccc2[O-])CCC1 ZINC000775632404 1122836783 /nfs/dbraw/zinc/83/67/83/1122836783.db2.gz YNHKCCLTKIIINZ-SGEFVQMOSA-N -1 3 295.810 3.653 20 30 CHEDHM N#Cc1ccc(Nc2cccc(Cl)c2[O-])c(F)c1 ZINC001201569931 1123126406 /nfs/dbraw/zinc/12/64/06/1123126406.db2.gz WXVKXUYLXIPKGB-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM COc1ccc(C#N)cc1Nc1ccc(Cl)cc1[O-] ZINC001201583986 1123127623 /nfs/dbraw/zinc/12/76/23/1123127623.db2.gz IAZLACSPPYFOJS-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cccc(Cl)c1 ZINC001202248261 1123193774 /nfs/dbraw/zinc/19/37/74/1123193774.db2.gz ZYBPRGDTZPYLMP-UHFFFAOYSA-N -1 3 287.706 3.561 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cccc(C)c2)ccc1[O-] ZINC000008509837 1123209258 /nfs/dbraw/zinc/20/92/58/1123209258.db2.gz JQQQADFGQVKSIH-SOFGYWHQSA-N -1 3 268.312 3.605 20 30 CHEDHM CC[C@@](C)(CN=Nc1nc2ccccc2[n-]c1=S)OC ZINC000863125172 1123845947 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O=C([C@H]1CCCC2(CC2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901373155 1129918212 /nfs/dbraw/zinc/91/82/12/1129918212.db2.gz SWFBXBSSMMMJOI-ZDUSSCGKSA-N -1 3 277.339 3.514 20 30 CHEDHM CC(C)C[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374954 1129918560 /nfs/dbraw/zinc/91/85/60/1129918560.db2.gz YABXIVVGDUSNRC-GFCCVEGCSA-N -1 3 267.344 3.616 20 30 CHEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901378312 1129918770 /nfs/dbraw/zinc/91/87/70/1129918770.db2.gz GFPWQZVHPILAMA-CYBMUJFWSA-N -1 3 287.334 3.737 20 30 CHEDHM O=C(CCC1CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901377923 1129918913 /nfs/dbraw/zinc/91/89/13/1129918913.db2.gz COXTZCPPJZPLKG-UHFFFAOYSA-N -1 3 288.174 3.901 20 30 CHEDHM Cc1ccc2ncc(/C=C\C(=O)c3ccc([O-])c(C)c3)n2c1 ZINC000771858215 1129994156 /nfs/dbraw/zinc/99/41/56/1129994156.db2.gz HSWYZWRFHLGNEQ-ALCCZGGFSA-N -1 3 292.338 3.553 20 30 CHEDHM CC(C)CNC(=O)c1cccc(-c2ccccc2C=N[O-])c1 ZINC001240093800 1130212934 /nfs/dbraw/zinc/21/29/34/1130212934.db2.gz FQMGSFZQEYEDRY-UHFFFAOYSA-N 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281.783 3.671 20 30 CHEDHM C=C(C)C[C@H](Oc1ccc2occ([O-])c2c1)C(=C)C ZINC001233680742 1132663231 /nfs/dbraw/zinc/66/32/31/1132663231.db2.gz NBYAWPSWEGSRCV-INIZCTEOSA-N -1 3 258.317 3.551 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccccc1F ZINC001233799063 1132680219 /nfs/dbraw/zinc/68/02/19/1132680219.db2.gz DWTBUBKUBNRLPM-VDCVXVNISA-N -1 3 289.306 3.782 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2cccc(C)c21 ZINC001233801165 1132681146 /nfs/dbraw/zinc/68/11/46/1132681146.db2.gz XPQJFVVRFWASTQ-YDDPGSGASA-N -1 3 297.354 3.878 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccc(C)cc1 ZINC001233803526 1132681522 /nfs/dbraw/zinc/68/15/22/1132681522.db2.gz QSNCOOVCIJQTHS-FHXOWUIVSA-N -1 3 285.343 3.952 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)Cc1ccccc1 ZINC001233802016 1132681550 /nfs/dbraw/zinc/68/15/50/1132681550.db2.gz FXVYUCHWHWPSMT-HTMJNSLASA-N -1 3 285.343 3.513 20 30 CHEDHM CC(C)Oc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174109580 1132724606 /nfs/dbraw/zinc/72/46/06/1132724606.db2.gz 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ZINC000924085747 1120143254 /nfs/dbraw/zinc/14/32/54/1120143254.db2.gz QGPLQMIKTACUCW-MRVPVSSYSA-N -1 3 280.274 3.622 20 30 CHEDHM CC(C)CCn1ccc([N-]c2snc(Cl)c2C#N)n1 ZINC000302053612 1120150373 /nfs/dbraw/zinc/15/03/73/1120150373.db2.gz YLXWGTTXPGTMMM-UHFFFAOYSA-N -1 3 295.799 3.654 20 30 CHEDHM Cc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1C ZINC000073973125 1120680462 /nfs/dbraw/zinc/68/04/62/1120680462.db2.gz NYAHXHHQFSQMOY-UHFFFAOYSA-N -1 3 296.330 3.512 20 30 CHEDHM Cc1ccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000032070561 1121007699 /nfs/dbraw/zinc/00/76/99/1121007699.db2.gz ACRPRCUYRVUTLY-ZJTXRKTBSA-N -1 3 289.762 3.507 20 30 CHEDHM CCOc1ccc(Nc2cc(C#N)ccc2[O-])c(C)c1 ZINC001175243641 1121243646 /nfs/dbraw/zinc/24/36/46/1121243646.db2.gz AROLQTKAEFTRCL-UHFFFAOYSA-N -1 3 268.316 3.715 20 30 CHEDHM CCOc1ccc(Nc2cc(C#N)ccc2[O-])c(F)c1 ZINC001175248245 1121246065 /nfs/dbraw/zinc/24/60/65/1121246065.db2.gz HNTSDNZCPXPVJW-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM N#Cc1cc(F)cc(Nc2cnc3cccc([O-])c3c2)c1 ZINC001175682419 1121430474 /nfs/dbraw/zinc/43/04/74/1121430474.db2.gz KSYYQPRSUGNSAK-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM Cc1ncc(C(=O)N([O-])Cc2cccc3ccccc32)s1 ZINC000900091708 1121540394 /nfs/dbraw/zinc/54/03/94/1121540394.db2.gz JGNATFFJWWANMT-UHFFFAOYSA-N -1 3 298.367 3.636 20 30 CHEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)c2csc(Cl)c2)[n-]1 ZINC001225468842 1121784157 /nfs/dbraw/zinc/78/41/57/1121784157.db2.gz DOSINKXTKRNORI-QMMMGPOBSA-N -1 3 294.763 3.822 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccccc1 ZINC000730586110 1121815065 /nfs/dbraw/zinc/81/50/65/1121815065.db2.gz BIGRLKAGURLPHO-QSARLWQPSA-N -1 3 268.287 3.915 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](C)Cc1ccccc1F ZINC001184305334 1122266616 /nfs/dbraw/zinc/26/66/16/1122266616.db2.gz GUJIGSPZMAHQAR-ZDUSSCGKSA-N -1 3 281.371 3.802 20 30 CHEDHM CCCCCCN([O-])C(=O)CCCOc1ccccc1 ZINC001184305487 1122267025 /nfs/dbraw/zinc/26/70/25/1122267025.db2.gz KPAINRNHMFLHMY-UHFFFAOYSA-N -1 3 279.380 3.644 20 30 CHEDHM CCCCCCN([O-])C(=O)CCCc1ccc(OC)cc1 ZINC001184305586 1122267255 /nfs/dbraw/zinc/26/72/55/1122267255.db2.gz MXOUUFGLGLUTND-UHFFFAOYSA-N -1 3 293.407 3.816 20 30 CHEDHM O=C(C[C@@H]1CC=CCC1)N([O-])Cc1ccccc1Cl ZINC001184293575 1122269567 /nfs/dbraw/zinc/26/95/67/1122269567.db2.gz ZBXFLOVJMAMUHD-GFCCVEGCSA-N -1 3 279.767 3.804 20 30 CHEDHM CSCC1(CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC001184283051 1122269762 /nfs/dbraw/zinc/26/97/62/1122269762.db2.gz BDGTYSDFHCGUMG-UHFFFAOYSA-N -1 3 299.823 3.591 20 30 CHEDHM O=C(c1cc(F)cc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC001184349240 1122273294 /nfs/dbraw/zinc/27/32/94/1122273294.db2.gz ZYZOPMHBWGJYDT-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc3ccccc3c2)o1 ZINC001188584538 1122469310 /nfs/dbraw/zinc/46/93/10/1122469310.db2.gz YZPRGHRGCVLYEO-UHFFFAOYSA-N -1 3 292.298 3.652 20 30 CHEDHM Cc1cccc([O-])c1C(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001188648377 1122470634 /nfs/dbraw/zinc/47/06/34/1122470634.db2.gz HDCGLTDOMOXRHW-GFCCVEGCSA-N -1 3 280.327 3.580 20 30 CHEDHM CCCCCCCNC(=O)Nc1ccc(F)c([O-])c1 ZINC001191104469 1122572287 /nfs/dbraw/zinc/57/22/87/1122572287.db2.gz HAGIRMGIBNLEAG-UHFFFAOYSA-N -1 3 268.332 3.623 20 30 CHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccccc2C(C)C)o1 ZINC001192225762 1122636744 /nfs/dbraw/zinc/63/67/44/1122636744.db2.gz LBNKQVQAIFBPAZ-UHFFFAOYSA-N -1 3 284.319 3.622 20 30 CHEDHM CCCCCCCOC(=O)Nc1ccc([O-])cc1C#N ZINC001194008951 1122738283 /nfs/dbraw/zinc/73/82/83/1122738283.db2.gz JRATYGLQNZSZEZ-UHFFFAOYSA-N -1 3 276.336 3.783 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC000507374539 1122950272 /nfs/dbraw/zinc/95/02/72/1122950272.db2.gz YPLUDFSGZMBATC-UHFFFAOYSA-N -1 3 289.325 3.859 20 30 CHEDHM N#CCN(Cc1cc2oc3ccccc3c2cc1[O-])C1CC1 ZINC000726961468 1123091174 /nfs/dbraw/zinc/09/11/74/1123091174.db2.gz MVKZXRJEOBJARQ-UHFFFAOYSA-N -1 3 292.338 3.780 20 30 CHEDHM N#Cc1cc(Cl)cc(Cl)c1Nc1cncc([O-])c1 ZINC001201639900 1123131217 /nfs/dbraw/zinc/13/12/17/1123131217.db2.gz WGMQQIRHWQTODS-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM C[C@H]1CCCCN1N=Cc1ccc2ccccc2c1[O-] ZINC000853381751 1123437951 /nfs/dbraw/zinc/43/79/51/1123437951.db2.gz KRZAKEWAMSPGRC-ZDUSSCGKSA-N -1 3 268.360 3.754 20 30 CHEDHM N#Cc1cc([O-])ccc1-c1ccc([C@H](O)C2CCC2)cc1 ZINC000854200980 1123475815 /nfs/dbraw/zinc/47/58/15/1123475815.db2.gz AAHOCVKBTXTPLW-GOSISDBHSA-N -1 3 279.339 3.764 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000856034710 1123545046 /nfs/dbraw/zinc/54/50/46/1123545046.db2.gz KOXQDOUCEWJICZ-KBPBESRZSA-N -1 3 273.376 3.600 20 30 CHEDHM CC(C)(CC#N)C/N=C\c1cc(Br)ccc1[O-] ZINC000840709390 1123700300 /nfs/dbraw/zinc/70/03/00/1123700300.db2.gz CPZLIQGNUWHQAQ-PXNMLYILSA-N -1 3 295.180 3.513 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCC=C3)n1 ZINC000336334505 1123762540 /nfs/dbraw/zinc/76/25/40/1123762540.db2.gz NKVSYFFWNRWLHZ-HNNXBMFYSA-N -1 3 294.379 3.901 20 30 CHEDHM CC(C)OC(=O)CC[C@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000794833182 1123966686 /nfs/dbraw/zinc/96/66/86/1123966686.db2.gz LUWJHQLLKJYAAC-DTQASYIRSA-N -1 3 297.782 3.585 20 30 CHEDHM C[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCS1 ZINC000121018357 1124054502 /nfs/dbraw/zinc/05/45/02/1124054502.db2.gz ZVHROKDMIKCPFN-MGMWDDNKSA-N -1 3 269.797 3.750 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(Cl)nc1 ZINC000794946483 1124095202 /nfs/dbraw/zinc/09/52/02/1124095202.db2.gz OOFFXESSZRWACQ-RQOWECAXSA-N -1 3 295.672 3.615 20 30 CHEDHM N#CCc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000127282770 1125173830 /nfs/dbraw/zinc/17/38/30/1125173830.db2.gz LSAXNXOLEBBGAM-UHFFFAOYSA-N -1 3 272.735 3.724 20 30 CHEDHM C=CCCCCCN(C)Cc1c(F)ccc([O-])c1F ZINC000508630714 1125276016 /nfs/dbraw/zinc/27/60/16/1125276016.db2.gz GFWFDICTDJRITC-UHFFFAOYSA-N -1 3 269.335 3.849 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCOC2(CCCC2)C1 ZINC000128485296 1125280574 /nfs/dbraw/zinc/28/05/74/1125280574.db2.gz NESDHCBHTFOACY-XWAFYUISSA-N -1 3 293.794 3.956 20 30 CHEDHM CC1(C)[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000741465765 1129436790 /nfs/dbraw/zinc/43/67/90/1129436790.db2.gz YCHUYTHKMUNLTE-SQZKDSCKSA-N -1 3 293.794 3.668 20 30 CHEDHM Cc1noc(C)c1C[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000737443669 1129448737 /nfs/dbraw/zinc/44/87/37/1129448737.db2.gz KRTKCLMXPKLTHR-QQWZZVHASA-N -1 3 292.766 3.701 20 30 CHEDHM CC(=O)c1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001241207692 1129483050 /nfs/dbraw/zinc/48/30/50/1129483050.db2.gz WMDAVSUPOSZQDR-RQZCQDPDSA-N -1 3 257.264 3.503 20 30 CHEDHM CS[C@@H]1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000743042214 1129511450 /nfs/dbraw/zinc/51/14/50/1129511450.db2.gz IAVPTAOXFWYHAF-AQXMUXADSA-N -1 3 269.797 3.749 20 30 CHEDHM CCO[C@@H](CC/N=C\c1cc(Cl)ccc1[O-])C(C)C ZINC000746394812 1129654834 /nfs/dbraw/zinc/65/48/34/1129654834.db2.gz RYNYSUPKQVIELO-HAKPAVFJSA-N -1 3 283.799 3.916 20 30 CHEDHM O=C(CCC1CC1)N([O-])Cc1cccc2ccccc21 ZINC000901369423 1129917529 /nfs/dbraw/zinc/91/75/29/1129917529.db2.gz CFRIFZGHTWTAKI-UHFFFAOYSA-N -1 3 269.344 3.748 20 30 CHEDHM Cc1coc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901371095 1129917600 /nfs/dbraw/zinc/91/76/00/1129917600.db2.gz LPAZMGBUEARCBK-UHFFFAOYSA-N -1 3 281.311 3.773 20 30 CHEDHM O=C(CCc1ccoc1)N([O-])Cc1cccc2ccccc21 ZINC000901370633 1129917638 /nfs/dbraw/zinc/91/76/38/1129917638.db2.gz BNDZTTNJRQMZGD-UHFFFAOYSA-N -1 3 295.338 3.783 20 30 CHEDHM Cc1nscc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371019 1129917671 /nfs/dbraw/zinc/91/76/71/1129917671.db2.gz KPZCFPHHJKJAMJ-UHFFFAOYSA-N -1 3 298.367 3.636 20 30 CHEDHM CSCCCCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372045 1129917703 /nfs/dbraw/zinc/91/77/03/1129917703.db2.gz ODWZCRFFSDNJDR-UHFFFAOYSA-N -1 3 299.411 3.857 20 30 CHEDHM C[C@@H]1CCCC[C@@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374282 1129918390 /nfs/dbraw/zinc/91/83/90/1129918390.db2.gz HWDGBGQPIQSBNV-TZMCWYRMSA-N -1 3 279.355 3.760 20 30 CHEDHM O=C(C1[C@@H]2CCCCCC[C@@H]12)N([O-])Cc1ccc(F)cc1 ZINC000901376069 1129918414 /nfs/dbraw/zinc/91/84/14/1129918414.db2.gz OSCOGSOJSZVHJD-HUUCEWRRSA-N -1 3 291.366 3.760 20 30 CHEDHM COc1cccc(N=Cc2cc(Cl)ccc2[O-])c1F ZINC000769717820 1129922161 /nfs/dbraw/zinc/92/21/61/1129922161.db2.gz CSADSGGGMLAYTH-UHFFFAOYSA-N -1 3 279.698 3.944 20 30 CHEDHM CC(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001239631066 1130023994 /nfs/dbraw/zinc/02/39/94/1130023994.db2.gz HYLSABAJIRFNCW-RQZCQDPDSA-N -1 3 257.264 3.503 20 30 CHEDHM C[C@H](NCC(C)(C)C#N)c1cccc(C(F)(F)F)c1[O-] ZINC000903102207 1130112627 /nfs/dbraw/zinc/11/26/27/1130112627.db2.gz UJNXMBGIUVPVIN-VIFPVBQESA-N -1 3 286.297 3.611 20 30 CHEDHM C#Cc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788270109 1130181211 /nfs/dbraw/zinc/18/12/11/1130181211.db2.gz FAVOFPKTWBGVNF-UHFFFAOYSA-N -1 3 293.347 3.841 20 30 CHEDHM C#Cc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792037903 1130428791 /nfs/dbraw/zinc/42/87/91/1130428791.db2.gz GCURRYSIEQNDBG-UHFFFAOYSA-N -1 3 287.318 3.779 20 30 CHEDHM COCOc1cc(C)ccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001240763680 1130460721 /nfs/dbraw/zinc/46/07/21/1130460721.db2.gz CISGKGYVDRQJRM-ZPHPHTNESA-N -1 3 297.354 3.769 20 30 CHEDHM N#Cc1ccc2cc(-c3ccc([O-])c(F)c3)ccc2n1 ZINC001240787403 1130471148 /nfs/dbraw/zinc/47/11/48/1130471148.db2.gz CFMXQNSVMNAVQA-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM O=c1ccoc2ccc(-c3ccc4c(c3)CC/C4=N/[O-])cc12 ZINC001240971112 1130545424 /nfs/dbraw/zinc/54/54/24/1130545424.db2.gz UWVCKNHXTPFCKP-MNDPQUGUSA-N -1 3 291.306 3.585 20 30 CHEDHM CC(=N[O-])c1ccc(O[C@@H](C(C)C)C(F)(F)F)cc1 ZINC001234082957 1130606299 /nfs/dbraw/zinc/60/62/99/1130606299.db2.gz BWELYONWQHQCOJ-LBPRGKRZSA-N -1 3 275.270 3.851 20 30 CHEDHM C=CC[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234448297 1130645005 /nfs/dbraw/zinc/64/50/05/1130645005.db2.gz UTEWLPIERGMCDO-HNNXBMFYSA-N -1 3 280.327 3.965 20 30 CHEDHM N#CC1CCC(Oc2c([O-])cc(Cl)cc2F)CC1 ZINC001234448671 1130645846 /nfs/dbraw/zinc/64/58/46/1130645846.db2.gz WNHNDJMGVMPDAQ-UHFFFAOYSA-N -1 3 269.703 3.646 20 30 CHEDHM CCCn1nc(C)c(/C=C\C(=O)c2ccc([O-])c(C)c2)c1C ZINC000759653972 1130667098 /nfs/dbraw/zinc/66/70/98/1130667098.db2.gz YEMNJGABSFVPKD-CLFYSBASSA-N -1 3 298.386 3.820 20 30 CHEDHM CC[C@@H](C#Cc1ccccc1)Oc1nc2ccsc2[n-]1 ZINC001234847638 1130681075 /nfs/dbraw/zinc/68/10/75/1130681075.db2.gz KKJPHLVYKOMQEL-ZDUSSCGKSA-N -1 3 282.368 3.834 20 30 CHEDHM [O-]c1c(C=NOC2CCCC2)ccc2ccccc21 ZINC000814894415 1130930988 /nfs/dbraw/zinc/93/09/88/1130930988.db2.gz MDWMOKJWXBMQBC-UHFFFAOYSA-N -1 3 255.317 3.839 20 30 CHEDHM [O-]c1c(C=NOC/C=C\Cl)ccc2ccccc12 ZINC000814933883 1130938869 /nfs/dbraw/zinc/93/88/69/1130938869.db2.gz DMVXBPNTLILOHE-WFXYSFRUSA-N -1 3 261.708 3.648 20 30 CHEDHM C=CCN(Cc1sc(=O)[n-]c1Cl)Cc1ccccc1 ZINC001237163634 1131061328 /nfs/dbraw/zinc/06/13/28/1131061328.db2.gz CTOFZTWIYYHAGB-UHFFFAOYSA-N -1 3 294.807 3.690 20 30 CHEDHM CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000207700055 1131078640 /nfs/dbraw/zinc/07/86/40/1131078640.db2.gz FCKRFYUOBMBGRN-CLFYSBASSA-N -1 3 298.338 3.696 20 30 CHEDHM C#CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCCC1 ZINC000843891090 1131522279 /nfs/dbraw/zinc/52/22/79/1131522279.db2.gz XRSZJPYBISCZAX-UHFFFAOYSA-N -1 3 299.370 3.507 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000846539796 1131714730 /nfs/dbraw/zinc/71/47/30/1131714730.db2.gz NXODHMOPDZSIEZ-UHFFFAOYSA-N -1 3 288.174 3.550 20 30 CHEDHM C=C[C@@H](CC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937074 1131771644 /nfs/dbraw/zinc/77/16/44/1131771644.db2.gz AEGPFNIHFDXXFU-ZDUSSCGKSA-N -1 3 298.338 3.672 20 30 CHEDHM CC[C@H](C#Cc1ccccc1)Oc1ncc(Cl)cc1[O-] ZINC001227982603 1131781615 /nfs/dbraw/zinc/78/16/15/1131781615.db2.gz DYAVQEVZRPWZLG-CQSZACIVSA-N -1 3 287.746 3.650 20 30 CHEDHM C#C[C@H]1CCC[C@H]1Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228134775 1131815832 /nfs/dbraw/zinc/81/58/32/1131815832.db2.gz QYZIZRGTSPTDJN-SUMWQHHRSA-N -1 3 286.371 3.728 20 30 CHEDHM C#C[C@@H](CCC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228155367 1131820851 /nfs/dbraw/zinc/82/08/51/1131820851.db2.gz SQWPLENGAXYPPQ-INIZCTEOSA-N -1 3 294.350 3.804 20 30 CHEDHM CCCCCCCNC(=O)c1ccc(CC)cc1[O-] ZINC001148483186 1131858406 /nfs/dbraw/zinc/85/84/06/1131858406.db2.gz AGWLWBLOOIMTHE-UHFFFAOYSA-N -1 3 263.381 3.655 20 30 CHEDHM C=CC[C@H](CCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623020 1131925054 /nfs/dbraw/zinc/92/50/54/1131925054.db2.gz OOKAOLOFCWEIKX-GFCCVEGCSA-N -1 3 288.343 3.931 20 30 CHEDHM C=C[C@@H](CCC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675347 1131932664 /nfs/dbraw/zinc/93/26/64/1131932664.db2.gz PRRIFBNJKPEEQX-JTQLQIEISA-N -1 3 275.308 3.513 20 30 CHEDHM C=CC(C=C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228957707 1131986331 /nfs/dbraw/zinc/98/63/31/1131986331.db2.gz GPUKEASEIXMVPD-UHFFFAOYSA-N -1 3 260.333 3.838 20 30 CHEDHM CCOC[C@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934406 1132134482 /nfs/dbraw/zinc/13/44/82/1132134482.db2.gz YYWWBIPYLPFMSR-BXUJETTOSA-N -1 3 299.370 3.947 20 30 CHEDHM CC(=NOCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000839419566 1132206331 /nfs/dbraw/zinc/20/63/31/1132206331.db2.gz HKSUGKKDVWRLPA-UHFFFAOYSA-N -1 3 275.735 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CHEDHM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccc2ccccc2c1 ZINC001226254142 1135677615 /nfs/dbraw/zinc/67/76/15/1135677615.db2.gz SBTQNRDADPSNOG-ZGXHQARYSA-N -1 3 293.326 3.578 20 30 CHEDHM C=CC[C@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])C(C)C ZINC001226532495 1135708836 /nfs/dbraw/zinc/70/88/36/1135708836.db2.gz ROCWSKHOLRZSGF-AWEZNQCLSA-N -1 3 288.343 3.787 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@@H](c2ccccc2)C2CC2)c1 ZINC001227344675 1135823945 /nfs/dbraw/zinc/82/39/45/1135823945.db2.gz CDACKMMDVQGKFK-KRWDZBQOSA-N -1 3 265.312 3.794 20 30 CHEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)s1 ZINC000078431241 177341007 /nfs/dbraw/zinc/34/10/07/177341007.db2.gz RJNVVYHJXHXEMD-LBPRGKRZSA-N -1 3 295.367 3.731 20 30 CHEDHM CC1(C)[C@@H](/N=C/c2c([O-])ccc3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000078052681 260299450 /nfs/dbraw/zinc/29/94/50/260299450.db2.gz UXYMZXLCDKUGET-XYRUNGFISA-N -1 3 295.382 3.778 20 30 CHEDHM C=CC[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000187272074 262394928 /nfs/dbraw/zinc/39/49/28/262394928.db2.gz GUQKXZKWWOCCAF-AWEZNQCLSA-N -1 3 285.318 3.830 20 30 CHEDHM C[C@@H](/N=C/c1ccccc1[O-])[C@H]1OCCc2sccc21 ZINC000292192148 263129417 /nfs/dbraw/zinc/12/94/17/263129417.db2.gz ZBQZGRQRHGYYPY-XWNGQRQQSA-N -1 3 287.384 3.575 20 30 CHEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000563528749 328071935 /nfs/dbraw/zinc/07/19/35/328071935.db2.gz DMNPMSPWEXOFII-UHFFFAOYSA-N -1 3 298.180 3.696 20 30 CHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000184550995 329259872 /nfs/dbraw/zinc/25/98/72/329259872.db2.gz KHIAULFBQIZICM-NSHDSACASA-N -1 3 270.357 3.757 20 30 CHEDHM C=CCN(Cc1cccs1)Cc1cc([O-])cc(F)c1 ZINC000186164349 329338809 /nfs/dbraw/zinc/33/88/09/329338809.db2.gz FOYFFLHAPBQQPG-UHFFFAOYSA-N -1 3 277.364 3.781 20 30 CHEDHM Cc1cc([O-])c2nc(/C=C/c3cc(C#N)n(C)c3)ccc2c1 ZINC000191377140 329413256 /nfs/dbraw/zinc/41/32/56/329413256.db2.gz LBNRXHNQADFOIO-HWKANZROSA-N -1 3 289.338 3.629 20 30 CHEDHM CCc1cc(C([O-])=C(C#N)c2ccccn2)sc1C ZINC000046706130 329611938 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332036696 /nfs/dbraw/zinc/03/66/96/332036696.db2.gz TVYISOZYSYZRMU-UHFFFAOYSA-N -1 3 290.750 3.594 20 30 CHEDHM CCc1cc(C#N)c([N-]C(=O)c2ccoc2Cl)s1 ZINC000192288603 335102329 /nfs/dbraw/zinc/10/23/29/335102329.db2.gz HAVNPPAMCUDFFZ-UHFFFAOYSA-N -1 3 280.736 3.681 20 30 CHEDHM C=C[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000513295512 333012762 /nfs/dbraw/zinc/01/27/62/333012762.db2.gz HXBVQIWXUDOLON-LBPRGKRZSA-N -1 3 251.757 3.586 20 30 CHEDHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc(C#N)cc1 ZINC000328282761 333507293 /nfs/dbraw/zinc/50/72/93/333507293.db2.gz ZEMAZPAROWJSBE-LLVKDONJSA-N -1 3 286.762 3.768 20 30 CHEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])c(C)o1 ZINC000581948762 336175000 /nfs/dbraw/zinc/17/50/00/336175000.db2.gz AMKURXJNFBSVJM-UHFFFAOYSA-N -1 3 299.370 3.517 20 30 CHEDHM C=CCn1cccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000336089481 527381607 /nfs/dbraw/zinc/38/16/07/527381607.db2.gz YLSKDINDHONFLD-CYBMUJFWSA-N -1 3 296.370 3.534 20 30 CHEDHM C=CC(C)(C)NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001573346611 962942295 /nfs/dbraw/zinc/94/22/95/962942295.db2.gz DZLHOPUTBKKAFT-UHFFFAOYSA-N -1 3 285.343 3.699 20 30 CHEDHM C#CC[C@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC001588421802 983442853 /nfs/dbraw/zinc/44/28/53/983442853.db2.gz OKSPZWSCLFECRL-DOMZBBRYSA-N -1 3 299.395 3.862 20 30 CHEDHM C#Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1F ZINC001175268736 1121269076 /nfs/dbraw/zinc/26/90/76/1121269076.db2.gz RSSYRINDCHXEJT-UHFFFAOYSA-N -1 3 263.218 3.534 20 30 CHEDHM CSc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001173813042 1132518105 /nfs/dbraw/zinc/51/81/05/1132518105.db2.gz QHTOWJBVQXHHOX-UHFFFAOYSA-N -1 3 256.330 3.729 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC2(CCC2)O1 ZINC000887269895 1125781128 /nfs/dbraw/zinc/78/11/28/1125781128.db2.gz DDBOTPJZTPITEG-LFMVTYOGSA-N -1 3 279.767 3.566 20 30 CHEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2F)ccc1[O-] ZINC000212829172 1126816266 /nfs/dbraw/zinc/81/62/66/1126816266.db2.gz PQVRNZWRKXSHTG-UTCJRWHESA-N -1 3 290.265 3.575 20 30 CHEDHM CC[C@H](CC(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192958 1126838240 /nfs/dbraw/zinc/83/82/40/1126838240.db2.gz GQDCEEKKPGAZCX-SECBINFHSA-N -1 3 291.725 3.739 20 30 CHEDHM N#CC1(c2ccc(-c3ccc(=O)[n-]c3F)cc2)CCC1 ZINC000906170795 1126933506 /nfs/dbraw/zinc/93/35/06/1126933506.db2.gz JTSGLNILQGJWLF-UHFFFAOYSA-N -1 3 268.291 3.539 20 30 CHEDHM C[C@H]1CC(=NOCCC(F)(F)F)c2c1c(F)ccc2[O-] ZINC000777462466 1126942063 /nfs/dbraw/zinc/94/20/63/1126942063.db2.gz BRIODRXNQICDIZ-ZETCQYMHSA-N -1 3 291.244 3.712 20 30 CHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccccc2C#N)CC)n1 ZINC000193619888 1126970506 /nfs/dbraw/zinc/97/05/06/1126970506.db2.gz VIWGHCZPYXVVDL-JLHYYAGUSA-N -1 3 293.370 3.545 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCCCS1 ZINC000783682458 1130846875 /nfs/dbraw/zinc/84/68/75/1130846875.db2.gz VUEJNKAGOZJUDA-AAWHYMEISA-N -1 3 269.797 3.750 20 30 CHEDHM C#C[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236799351 1131010224 /nfs/dbraw/zinc/01/02/24/1131010224.db2.gz NWTYUJGCJDWFTB-SNVBAGLBSA-N -1 3 284.186 3.544 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000669048726 1127116531 /nfs/dbraw/zinc/11/65/31/1127116531.db2.gz AGBUISZCDIOSDX-UHFFFAOYSA-N -1 3 293.432 3.933 20 30 CHEDHM Cc1ncc(CO)c(C=Nc2csc3ccccc23)c1[O-] ZINC000778516337 1128538392 /nfs/dbraw/zinc/53/83/92/1128538392.db2.gz BYMBJOMLLCMPMK-UHFFFAOYSA-N -1 3 298.367 3.553 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccccc1 ZINC000920944522 1128695913 /nfs/dbraw/zinc/69/59/13/1128695913.db2.gz NOKVHYVJVUFXIO-BOPFTXTBSA-N -1 3 275.735 3.544 20 30 CHEDHM N#C[C@H]1CC=C(Nc2cccc([O-])c2Br)CC1 ZINC001212866817 1128729435 /nfs/dbraw/zinc/72/94/35/1128729435.db2.gz IDJQNBOSHQZLFE-VIFPVBQESA-N -1 3 293.164 3.774 20 30 CHEDHM C=CCC1(NC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000619110512 1128730726 /nfs/dbraw/zinc/73/07/26/1128730726.db2.gz GVBBGPFEZVLRRG-UHFFFAOYSA-N -1 3 279.767 3.664 20 30 CHEDHM Cc1cccc2[nH]c(CN=Cc3cc(Cl)ccc3[O-])nc21 ZINC000765499247 1118157004 /nfs/dbraw/zinc/15/70/04/1118157004.db2.gz GWSXZWPUVLQPSZ-QGMBQPNBSA-N -1 3 299.761 3.849 20 30 CHEDHM N#Cc1ncccc1Nc1cc(Cl)c(Cl)cc1[O-] ZINC001210147355 1118170672 /nfs/dbraw/zinc/17/06/72/1118170672.db2.gz CJDCWUBPEYQHCA-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM CCCCCCN([O-])C(=O)c1nc(Cl)sc1C ZINC001649056695 1118283377 /nfs/dbraw/zinc/28/33/77/1118283377.db2.gz GSYMFONPTGZRKD-UHFFFAOYSA-N -1 3 276.789 3.517 20 30 CHEDHM CCCCCCN([O-])C(=O)COc1cccc(C(C)C)c1 ZINC001649057205 1118284174 /nfs/dbraw/zinc/28/41/74/1118284174.db2.gz STEFUPNRWXJGRZ-UHFFFAOYSA-N -1 3 293.407 3.987 20 30 CHEDHM CCCCCCN([O-])C(=O)CCCOc1ccccc1C ZINC001649057168 1118284547 /nfs/dbraw/zinc/28/45/47/1118284547.db2.gz QXCARGXVEPNWTO-UHFFFAOYSA-N -1 3 293.407 3.952 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001649057322 1118285389 /nfs/dbraw/zinc/28/53/89/1118285389.db2.gz WCKRRVKSGKUGLN-CYBMUJFWSA-N -1 3 281.371 3.802 20 30 CHEDHM CCCCN([O-])C(=O)c1sc(-c2ccc(C)o2)nc1C ZINC001649061296 1118294372 /nfs/dbraw/zinc/29/43/72/1118294372.db2.gz KUJPMKPMCOUFKW-UHFFFAOYSA-N -1 3 294.376 3.651 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3 293.794 3.910 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cc(C)c(O)c(C)c2)ccc1[O-] ZINC000211827816 1119145891 /nfs/dbraw/zinc/14/58/91/1119145891.db2.gz GPZOETMVNSQQLG-XQRVVYSFSA-N -1 3 298.338 3.619 20 30 CHEDHM COc1cc(C(=O)/C=C/c2c(C)cccc2C)ccc1[O-] ZINC000755579050 1119551940 /nfs/dbraw/zinc/55/19/40/1119551940.db2.gz KQLYQOFLJSTBRC-CSKARUKUSA-N -1 3 282.339 3.914 20 30 CHEDHM [O-]c1ccc(C=NNc2cccc3ncccc32)cc1F ZINC000755652373 1119621596 /nfs/dbraw/zinc/62/15/96/1119621596.db2.gz XWFMIXWKDLZNNF-UHFFFAOYSA-N -1 3 281.290 3.526 20 30 CHEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378628 1119710152 /nfs/dbraw/zinc/71/01/52/1119710152.db2.gz MJPMYYIKAIDAIG-GFCCVEGCSA-N -1 3 299.399 3.893 20 30 CHEDHM N#CC[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236796337 1128892121 /nfs/dbraw/zinc/89/21/21/1128892121.db2.gz OFMNUGGGBFQOGY-JTQLQIEISA-N -1 3 299.201 3.825 20 30 CHEDHM N#Cc1cc(Cl)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212487522 1120372789 /nfs/dbraw/zinc/37/27/89/1120372789.db2.gz 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/nfs/dbraw/zinc/67/85/86/1121678586.db2.gz HUMJLEMATFXRDL-UHFFFAOYSA-N -1 3 250.301 3.885 20 30 CHEDHM Cc1sc(Nc2c([O-])cccc2F)c(C#N)c1C ZINC001249989266 1122021950 /nfs/dbraw/zinc/02/19/50/1122021950.db2.gz PINSLCKLCRXLBT-UHFFFAOYSA-N -1 3 262.309 3.825 20 30 CHEDHM Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1F ZINC001184273326 1122263332 /nfs/dbraw/zinc/26/33/32/1122263332.db2.gz QBBVEFIWRXKFRB-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM CCC(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293346 1122269360 /nfs/dbraw/zinc/26/93/60/1122269360.db2.gz PDQOPJNVTSSUSA-UHFFFAOYSA-N -1 3 263.381 3.663 20 30 CHEDHM Cc1noc([N-]C(=O)Nc2cccc3ccccc32)c1C#N ZINC001188906144 1122481072 /nfs/dbraw/zinc/48/10/72/1122481072.db2.gz IUXIGHMZVMXANY-UHFFFAOYSA-N -1 3 292.298 3.652 20 30 CHEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(C)cc1[O-] ZINC000436876530 1122589895 /nfs/dbraw/zinc/58/98/95/1122589895.db2.gz ZXTRJRAMAYZGRB-UHFFFAOYSA-N -1 3 287.384 3.591 20 30 CHEDHM CCCCCCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000001536167 1122690277 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1123816056 /nfs/dbraw/zinc/81/60/56/1123816056.db2.gz CVVXPQUVGFHXNH-UHFFFAOYSA-N -1 3 258.296 3.676 20 30 CHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)C1CCC1 ZINC000863128160 1123847351 /nfs/dbraw/zinc/84/73/51/1123847351.db2.gz GVKFTGVJOHZYJH-UHFFFAOYSA-N -1 3 272.377 3.880 20 30 CHEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000443060946 1123982900 /nfs/dbraw/zinc/98/29/00/1123982900.db2.gz QGXNAWMWLHRUQN-ZDUSSCGKSA-N -1 3 287.281 3.952 20 30 CHEDHM CCc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)o1 ZINC000794941143 1124093591 /nfs/dbraw/zinc/09/35/91/1124093591.db2.gz JEJOJXNAXUZGHB-GQCTYLIASA-N -1 3 278.254 3.722 20 30 CHEDHM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000213219628 1125359010 /nfs/dbraw/zinc/35/90/10/1125359010.db2.gz FYCKSILJZIAITB-YWEFTTLKSA-N -1 3 298.313 3.923 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CC=CCC1 ZINC000735978706 1129360856 /nfs/dbraw/zinc/36/08/56/1129360856.db2.gz JUVAYBGCNZCJKZ-CDCQXCROSA-N -1 3 280.165 3.682 20 30 CHEDHM COCc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000741843046 1129457409 /nfs/dbraw/zinc/45/74/09/1129457409.db2.gz XUPVJPGVNMOXDB-VQHVLOKHSA-N -1 3 282.339 3.743 20 30 CHEDHM N#Cc1ccc(-c2ccc(NCc3ncccc3[O-])cc2)o1 ZINC001169732164 1129753692 /nfs/dbraw/zinc/75/36/92/1129753692.db2.gz IERAIUFWRXPUEF-UHFFFAOYSA-N -1 3 291.310 3.531 20 30 CHEDHM CCC(CC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091538 1129862604 /nfs/dbraw/zinc/86/26/04/1129862604.db2.gz AMWSEKQFHWOHJP-UHFFFAOYSA-N -1 3 271.360 3.994 20 30 CHEDHM Cc1ccoc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091768 1129862781 /nfs/dbraw/zinc/86/27/81/1129862781.db2.gz MJKBWLZDKQVAPF-UHFFFAOYSA-N -1 3 281.311 3.773 20 30 CHEDHM CCC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901372298 1129917751 /nfs/dbraw/zinc/91/77/51/1129917751.db2.gz BUEILFDNWNMGQQ-CQSZACIVSA-N -1 3 267.344 3.616 20 30 CHEDHM Cc1cccc(C2(C(=O)N([O-])Cc3ccc(F)cc3)CC2)c1 ZINC000901374497 1129918010 /nfs/dbraw/zinc/91/80/10/1129918010.db2.gz KWMUVVASVIDHMG-UHFFFAOYSA-N -1 3 299.345 3.584 20 30 CHEDHM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)C12CC(C1)C2 ZINC000901379098 1129919027 /nfs/dbraw/zinc/91/90/27/1129919027.db2.gz VOPNUIBHAKCPOM-UHFFFAOYSA-N -1 3 286.158 3.511 20 30 CHEDHM CC(C)(C#N)CCCCOC(=O)c1cc2occc2[n-]1 ZINC000786030169 1130074672 /nfs/dbraw/zinc/07/46/72/1130074672.db2.gz LXVBOPSSTQUHQP-UHFFFAOYSA-N -1 3 274.320 3.638 20 30 CHEDHM CC(=NOCc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000746587959 1130096799 /nfs/dbraw/zinc/09/67/99/1130096799.db2.gz UPQOWAMNENTPHX-UHFFFAOYSA-N -1 3 292.338 3.881 20 30 CHEDHM CC[C@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000787141380 1130131745 /nfs/dbraw/zinc/13/17/45/1130131745.db2.gz MKZUVOLTTJDRGV-KCUAXXGYSA-N -1 3 265.662 3.805 20 30 CHEDHM CC(C)CNC(=O)c1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001240093404 1130212929 /nfs/dbraw/zinc/21/29/29/1130212929.db2.gz QJKKIULWELHNJL-UDWIEESQSA-N -1 3 296.370 3.548 20 30 CHEDHM CC(=N[O-])c1ccc(O[C@H](C#N)c2cccc(F)c2)cc1 ZINC001234079960 1130606468 /nfs/dbraw/zinc/60/64/68/1130606468.db2.gz 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C=C[C@H](CCCCCC)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228698999 1131936914 /nfs/dbraw/zinc/93/69/14/1131936914.db2.gz BDTURWCNQHYRHA-CQSZACIVSA-N -1 3 286.379 3.771 20 30 CHEDHM C=CC[C@H](Oc1cc2c(cc1[O-])CCC2=O)C(C)C ZINC001228855342 1131966890 /nfs/dbraw/zinc/96/68/90/1131966890.db2.gz FTMCFEJRDQQQSU-HNNXBMFYSA-N -1 3 260.333 3.501 20 30 CHEDHM C#CC[C@@H](CC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959040 1131985958 /nfs/dbraw/zinc/98/59/58/1131985958.db2.gz RANMPRKLVBHXMH-CYBMUJFWSA-N -1 3 274.360 3.899 20 30 CHEDHM CC#C[C@@H](CC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959966 1131986378 /nfs/dbraw/zinc/98/63/78/1131986378.db2.gz RLMBVXLNMAIJER-CYBMUJFWSA-N -1 3 274.360 3.899 20 30 CHEDHM C#C[C@H](CC(C)C)Oc1cccc([O-])c1Br ZINC001229140364 1132026906 /nfs/dbraw/zinc/02/69/06/1132026906.db2.gz BINMKJROBYLHSE-SNVBAGLBSA-N -1 3 283.165 3.581 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229954062 1132135020 /nfs/dbraw/zinc/13/50/20/1132135020.db2.gz 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CCCC[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC001161807911 1133030635 /nfs/dbraw/zinc/03/06/35/1133030635.db2.gz RHQJJDHGMQPGCW-NSHDSACASA-N -1 3 269.772 3.884 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1c(F)cccc1Cl ZINC001161818740 1133031073 /nfs/dbraw/zinc/03/10/73/1133031073.db2.gz HIDQIPYWXZUYFK-UHFFFAOYSA-N -1 3 287.762 3.820 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](CC)OC1CCCCC1 ZINC001161827166 1133032159 /nfs/dbraw/zinc/03/21/59/1133032159.db2.gz WFJCDWFSTSKJMQ-OAHLLOKOSA-N -1 3 285.428 3.912 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](CC)Sc1ccccc1 ZINC001161832781 1133033788 /nfs/dbraw/zinc/03/37/88/1133033788.db2.gz UHWYCSBGFHTIPK-CYBMUJFWSA-N -1 3 267.394 3.575 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](CC(C)C)c1ccccc1 ZINC001161832762 1133034498 /nfs/dbraw/zinc/03/44/98/1133034498.db2.gz TVBHXLKOQKQAIK-OAHLLOKOSA-N -1 3 263.381 3.834 20 30 CHEDHM Cc1c(C#N)ccnc1-c1ccc([O-])cc1C(F)(F)F ZINC001205073064 1133524610 /nfs/dbraw/zinc/52/46/10/1133524610.db2.gz FJGFNXSMGZBWFY-UHFFFAOYSA-N -1 3 278.233 3.653 20 30 CHEDHM N#Cc1oc2ccccc2c1Nc1cccc(F)c1[O-] ZINC001210194560 1134163963 /nfs/dbraw/zinc/16/39/63/1134163963.db2.gz CZXJYVSFGFTZOH-UHFFFAOYSA-N -1 3 268.247 3.893 20 30 CHEDHM Cc1cc(C#N)cc(Nc2cnc3cccc([O-])c3c2)c1 ZINC001210389111 1134206449 /nfs/dbraw/zinc/20/64/49/1134206449.db2.gz WNEMPLRJTCXNMB-UHFFFAOYSA-N -1 3 275.311 3.864 20 30 CHEDHM Cc1ccc(Nc2ccc([O-])c(Cl)c2)c(C#N)c1 ZINC001210569794 1134251654 /nfs/dbraw/zinc/25/16/54/1134251654.db2.gz ZCTITEZKAVMZAL-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM Cc1nsc(Nc2cc([O-])cc(C(F)(F)F)c2)c1C#N ZINC001210822694 1134305331 /nfs/dbraw/zinc/30/53/31/1134305331.db2.gz JNHIOIFDFPYWAY-UHFFFAOYSA-N -1 3 299.277 3.791 20 30 CHEDHM N#Cc1ccc(Nc2c([O-])cccc2Cl)s1 ZINC001215984476 1134736009 /nfs/dbraw/zinc/73/60/09/1134736009.db2.gz MAZLRMCBSPAFKY-UHFFFAOYSA-N -1 3 250.710 3.722 20 30 CHEDHM N#Cc1cccc(C#N)c1Nc1c([O-])cccc1Cl ZINC001215986034 1134741158 /nfs/dbraw/zinc/74/11/58/1134741158.db2.gz IAMWQXZIEWKOMD-UHFFFAOYSA-N -1 3 269.691 3.533 20 30 CHEDHM N#Cc1cc(Nc2c([O-])cccc2Cl)cc(F)c1F ZINC001215986753 1134741793 /nfs/dbraw/zinc/74/17/93/1134741793.db2.gz PXEYKJVCYKIRMM-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC(C)c1ccc(N)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001216021838 1134752305 /nfs/dbraw/zinc/75/23/05/1134752305.db2.gz UMJZZEGCGLMKHH-UHFFFAOYSA-N -1 3 267.332 3.713 20 30 CHEDHM Cc1cc(=O)c(C#N)c(O[C@H](C)c2csc(Cl)c2)[n-]1 ZINC001225468841 1135571258 /nfs/dbraw/zinc/57/12/58/1135571258.db2.gz DOSINKXTKRNORI-MRVPVSSYSA-N -1 3 294.763 3.822 20 30 CHEDHM CC[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1F ZINC001225470659 1135571339 /nfs/dbraw/zinc/57/13/39/1135571339.db2.gz YAEPRJALDNFRGC-OAHLLOKOSA-N -1 3 286.306 3.637 20 30 CHEDHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccccc2C#N)c1 ZINC001225995450 1135649711 /nfs/dbraw/zinc/64/97/11/1135649711.db2.gz RLCBLCZATRJNHZ-GFCCVEGCSA-N -1 3 281.311 3.606 20 30 CHEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cccc(/C=N/[O-])c2)O1 ZINC001226114429 1135663878 /nfs/dbraw/zinc/66/38/78/1135663878.db2.gz JJHGBVNLEHCSSF-LUHQZAGKSA-N -1 3 289.375 3.776 20 30 CHEDHM C[C@H](CC(C)(C)S)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118192 1135664984 /nfs/dbraw/zinc/66/49/84/1135664984.db2.gz CKJMMRYYPDYMKT-MRVPVSSYSA-N -1 3 284.450 3.509 20 30 CHEDHM [O-]/N=C/c1cccc(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1 ZINC001226115413 1135665381 /nfs/dbraw/zinc/66/53/81/1135665381.db2.gz CUJWMLFAHYCYQS-DYNFWSHFSA-N -1 3 297.354 3.621 20 30 CHEDHM C=C[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1 ZINC001226299776 1135682017 /nfs/dbraw/zinc/68/20/17/1135682017.db2.gz GTVLMTSXPJCCKE-AWEZNQCLSA-N -1 3 284.384 3.560 20 30 CHEDHM C=C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1 ZINC001226299779 1135682141 /nfs/dbraw/zinc/68/21/41/1135682141.db2.gz GTVLMTSXPJCCKE-CQSZACIVSA-N -1 3 284.384 3.560 20 30 CHEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc([O-])cc(F)c1 ZINC000334950700 225396192 /nfs/dbraw/zinc/39/61/92/225396192.db2.gz JVLXCQLWIDLOLC-SFHVURJKSA-N -1 3 296.345 3.570 20 30 CHEDHM N#Cc1ccsc1[N-]C(=O)c1sccc1Cl ZINC000336034135 228180444 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327335082 /nfs/dbraw/zinc/33/50/82/327335082.db2.gz AMSBOLLJWJJDBI-CQSZACIVSA-N -1 3 299.370 3.770 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c3c2CCC3)n1 ZINC000583423305 327355973 /nfs/dbraw/zinc/35/59/73/327355973.db2.gz AWSYHXDNRFEDIU-OAHLLOKOSA-N -1 3 296.395 3.739 20 30 CHEDHM Cc1cc2occ(C([O-])=C(C#N)c3ccccn3)c2cc1C ZINC000187475311 329357968 /nfs/dbraw/zinc/35/79/68/329357968.db2.gz KKQPVTPUMHFCRR-CQSZACIVSA-N -1 3 290.322 3.935 20 30 CHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(F)cc2)n1 ZINC000080450885 330131029 /nfs/dbraw/zinc/13/10/29/330131029.db2.gz HRXNRHBGWAJCPC-LBPRGKRZSA-N -1 3 288.347 3.896 20 30 CHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)ccc1Cl ZINC000135027321 334112564 /nfs/dbraw/zinc/11/25/64/334112564.db2.gz CEDIWJXFRXIFEN-GFCCVEGCSA-N -1 3 270.719 3.534 20 30 CHEDHM C=CCC(CC=C)C(=O)Nc1c([O-])cccc1Cl ZINC000552435746 334327183 /nfs/dbraw/zinc/32/71/83/334327183.db2.gz XVHMPZBGCVAMJF-UHFFFAOYSA-N -1 3 265.740 3.753 20 30 CHEDHM C=CCn1cccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000336089482 527381372 /nfs/dbraw/zinc/38/13/72/527381372.db2.gz YLSKDINDHONFLD-ZDUSSCGKSA-N -1 3 296.370 3.534 20 30 CHEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000334782051 527492307 /nfs/dbraw/zinc/49/23/07/527492307.db2.gz UKPIBJNVGLINSN-UHFFFAOYSA-N -1 3 298.317 3.585 20 30 CHEDHM N#Cc1cc(F)cc(F)c1Nc1cc([O-])cc(Cl)c1 ZINC001176626098 1121664963 /nfs/dbraw/zinc/66/49/63/1121664963.db2.gz XLJLAPKBYMBAKE-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM C=C[C@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130408 1131813573 /nfs/dbraw/zinc/81/35/73/1131813573.db2.gz AMYFGYUNFFSVTB-GFCCVEGCSA-N -1 3 262.349 3.891 20 30 CHEDHM C[C@@H]1CCc2c(C([O-])=C(C#N)c3ccccn3)csc2C1 ZINC000072590934 1125635553 /nfs/dbraw/zinc/63/55/53/1125635553.db2.gz DNDKCPUJRVPEPP-YPMHNXCESA-N -1 3 296.395 3.758 20 30 CHEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)n1cccc1 ZINC000904188709 1126836955 /nfs/dbraw/zinc/83/69/55/1126836955.db2.gz KQERWUAYNVDZBA-GFCCVEGCSA-N -1 3 292.766 3.511 20 30 CHEDHM CC[C@H](CC(F)(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177845 1126837213 /nfs/dbraw/zinc/83/72/13/1126837213.db2.gz PUCZWUVFXWJSMX-SNVBAGLBSA-N -1 3 293.260 3.522 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCC[C@H]1CCCCO1 ZINC000761015968 1127381420 /nfs/dbraw/zinc/38/14/20/1127381420.db2.gz SUHDWOCAMWVVDL-SWEABUAFSA-N -1 3 281.783 3.814 20 30 CHEDHM CC#CCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000467928622 1127984515 /nfs/dbraw/zinc/98/45/15/1127984515.db2.gz CWYIDVBMYKVOOP-UHFFFAOYSA-N -1 3 285.265 3.543 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC[C@@H]2CC ZINC001123443848 1128406693 /nfs/dbraw/zinc/40/66/93/1128406693.db2.gz GHCMIAADXUOTHN-ZJUUUORDSA-N -1 3 295.408 3.601 20 30 CHEDHM CC(=NNc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000916581218 1128427633 /nfs/dbraw/zinc/42/76/33/1128427633.db2.gz TZDXLMPCPINQJE-UHFFFAOYSA-N -1 3 262.259 3.507 20 30 CHEDHM CC1(CC(=O)N([O-])Cc2ccc(F)cc2)CCCCC1 ZINC000901371582 1128674657 /nfs/dbraw/zinc/67/46/57/1128674657.db2.gz FCSXUSGQVHPFLD-UHFFFAOYSA-N -1 3 279.355 3.904 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccccc1F ZINC000920942093 1128694525 /nfs/dbraw/zinc/69/45/25/1128694525.db2.gz KKJYTOZNXPKWFI-ZDLGFXPLSA-N -1 3 293.725 3.683 20 30 CHEDHM C=CCCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000077108190 1128709099 /nfs/dbraw/zinc/70/90/99/1128709099.db2.gz HZHVUCJWAKWSDG-UHFFFAOYSA-N -1 3 261.365 3.554 20 30 CHEDHM COc1c(C#N)c(F)ccc1-c1c(F)ccc(C)c1[O-] ZINC001236416480 1128756459 /nfs/dbraw/zinc/75/64/59/1128756459.db2.gz UYOXJLPRDFCWCL-UHFFFAOYSA-N -1 3 275.254 3.526 20 30 CHEDHM CC(=NOCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000764844127 1118121588 /nfs/dbraw/zinc/12/15/88/1118121588.db2.gz GPAVEYBZMVGBSB-UHFFFAOYSA-N -1 3 283.249 3.848 20 30 CHEDHM C[C@@H](CCc1cccn1C)/N=C\c1cc(Cl)ccc1[O-] ZINC000741845871 1118132458 /nfs/dbraw/zinc/13/24/58/1118132458.db2.gz YLZQYVDGZOUZOB-SJWFJVLYSA-N -1 3 290.794 3.824 20 30 CHEDHM CC1(C)CCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001649045703 1118265956 /nfs/dbraw/zinc/26/59/56/1118265956.db2.gz 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C/C(=N\[O-])c1ccccc1O[C@@H](C)CC(C)(C)S ZINC001229739015 1132112064 /nfs/dbraw/zinc/11/20/64/1132112064.db2.gz SAUFDGKCCFAPQO-MKNMWBPTSA-N -1 3 267.394 3.751 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCOC2(CCC2)C1 ZINC000840708164 1132273209 /nfs/dbraw/zinc/27/32/09/1132273209.db2.gz USEFJKXWBWSDFA-SJWFJVLYSA-N -1 3 293.794 3.814 20 30 CHEDHM CN(Cc1ccc(C#N)cc1)Cc1ccc(Cl)c([O-])c1 ZINC001231739302 1132354265 /nfs/dbraw/zinc/35/42/65/1132354265.db2.gz ZZQAJVCQIXFBMZ-UHFFFAOYSA-N -1 3 286.762 3.549 20 30 CHEDHM C=C[C@H](CCCCC)Oc1ccc2occ([O-])c2c1 ZINC001233677550 1132661996 /nfs/dbraw/zinc/66/19/96/1132661996.db2.gz KXMMDEHDMKKUQS-GFCCVEGCSA-N -1 3 260.333 3.775 20 30 CHEDHM CC[C@H]1CCCC[C@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233799975 1132681778 /nfs/dbraw/zinc/68/17/78/1132681778.db2.gz MIWHPQKWLLIEHE-GRSAQOKDSA-N -1 3 277.364 3.851 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1OC1[C@@H](C)CCC[C@@H]1C ZINC001233802473 1132681870 /nfs/dbraw/zinc/68/18/70/1132681870.db2.gz GOFJDKILTHTNGF-OMZBXQEKSA-N -1 3 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TYGVAVKCDJCOME-UHFFFAOYSA-N -1 3 256.280 3.709 20 30 CHEDHM N#Cc1cc(Nc2cc([O-])cc(F)c2)ccc1N1CCCC1 ZINC001206851809 1133755123 /nfs/dbraw/zinc/75/51/23/1133755123.db2.gz WVMVTFJPCCPBFF-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM CC(C)Oc1ccc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001209996495 1134119200 /nfs/dbraw/zinc/11/92/00/1134119200.db2.gz QHUZRPIYIDFNHI-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM CC(C)Oc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001210024018 1134126134 /nfs/dbraw/zinc/12/61/34/1134126134.db2.gz ZILQDZZFBHUJIH-UHFFFAOYSA-N -1 3 268.316 3.795 20 30 CHEDHM CC(=O)c1cccc([O-])c1Nc1cc(Cl)cc(C#N)c1 ZINC001210539470 1134242959 /nfs/dbraw/zinc/24/29/59/1134242959.db2.gz BOONLFKSASPGOK-UHFFFAOYSA-N -1 3 286.718 3.863 20 30 CHEDHM CC(C)(C)c1nsc([N-]c2ccc(F)cc2C#N)n1 ZINC001210552558 1134246434 /nfs/dbraw/zinc/24/64/34/1134246434.db2.gz MMEOZKXEJDDTFQ-UHFFFAOYSA-N -1 3 276.340 3.590 20 30 CHEDHM Cc1cc(Nc2cc(F)c(F)cc2[O-])ccc1C#N ZINC001210809549 1134300401 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C[C@H](Oc1nccc(/C=N/[O-])n1)c1cc2ccccc2s1 ZINC001226253954 1135677962 /nfs/dbraw/zinc/67/79/62/1135677962.db2.gz OXBNKIKVBCSLIT-VJCPFXPRSA-N -1 3 299.355 3.639 20 30 CHEDHM C[C@H](CC(C)(C)S)Oc1cccc([O-])c1Cl ZINC001226708767 1135731456 /nfs/dbraw/zinc/73/14/56/1135731456.db2.gz IZOFJXKKJQTBSY-MRVPVSSYSA-N -1 3 260.786 3.911 20 30 CHEDHM C=C[C@@H](Oc1[n-]c(=S)ncc1CC)c1ccccc1 ZINC001227065090 1135780909 /nfs/dbraw/zinc/78/09/09/1135780909.db2.gz ZBKYVCGJCLWEDE-CYBMUJFWSA-N -1 3 272.373 3.634 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227345178 1135823443 /nfs/dbraw/zinc/82/34/43/1135823443.db2.gz KURMQYZCORFROI-ZBFHGGJFSA-N -1 3 269.344 3.944 20 30 CHEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccc(F)cc1 ZINC001227345009 1135823802 /nfs/dbraw/zinc/82/38/02/1135823802.db2.gz HRPOUNOWRLZYPQ-JTQLQIEISA-N -1 3 257.264 3.543 20 30 CHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccc(F)c(F)c1 ZINC001227351235 1135824831 /nfs/dbraw/zinc/82/48/31/1135824831.db2.gz SXJHCRHXAWRPTM-SECBINFHSA-N -1 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ZINC000916849558 1128457173 /nfs/dbraw/zinc/45/71/73/1128457173.db2.gz UVCRACQWEURSPP-WKTRQSJXSA-N -1 3 288.306 3.717 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cccc(C)c2)ccc1[O-] ZINC000033474377 1128535283 /nfs/dbraw/zinc/53/52/83/1128535283.db2.gz JQQQADFGQVKSIH-VURMDHGXSA-N -1 3 268.312 3.605 20 30 CHEDHM CCc1cnccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000778516806 1128537386 /nfs/dbraw/zinc/53/73/86/1128537386.db2.gz HZAPOGCZBPIZLS-VCHYOVAHSA-N -1 3 274.751 3.622 20 30 CHEDHM Cc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)s1 ZINC000728230186 1118051929 /nfs/dbraw/zinc/05/19/29/1118051929.db2.gz AZCGYFRAKDVMNG-SOFGYWHQSA-N -1 3 258.342 3.967 20 30 CHEDHM CCOc1ccccc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728231950 1118052872 /nfs/dbraw/zinc/05/28/72/1118052872.db2.gz OPQUQTZFYJFCSK-FLIBITNWSA-N -1 3 282.339 3.995 20 30 CHEDHM CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728231731 1118053383 /nfs/dbraw/zinc/05/33/83/1118053383.db2.gz OHISKIQFLALXGW-POHAHGRESA-N -1 3 282.339 3.995 20 30 CHEDHM N#Cc1cc(Cl)ccc1Nc1ccc(F)cc1[O-] ZINC001210016434 1118132626 /nfs/dbraw/zinc/13/26/26/1118132626.db2.gz GQCBLXFCHMLRFY-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1cc(Nc2cccc(F)c2[O-])ccc1N1CCCC1 ZINC001210200059 1118192672 /nfs/dbraw/zinc/19/26/72/1118192672.db2.gz UPKGUTWGQDSIAL-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM N#Cc1cc(Nc2cc(Cl)cc3ncoc32)ccc1[O-] ZINC001210535701 1118316984 /nfs/dbraw/zinc/31/69/84/1118316984.db2.gz FNBXPQATJODLJV-UHFFFAOYSA-N -1 3 285.690 3.802 20 30 CHEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000728429774 1118932723 /nfs/dbraw/zinc/93/27/23/1118932723.db2.gz PKXUMTMKYRHWRV-NSHDSACASA-N -1 3 272.323 3.606 20 30 CHEDHM O=c1ccc2cc(N=Cc3cc(Cl)ccc3[O-])ccc2[nH]1 ZINC000728438082 1118945461 /nfs/dbraw/zinc/94/54/61/1118945461.db2.gz OIKHJEGWHQCMPD-UHFFFAOYSA-N -1 3 298.729 3.638 20 30 CHEDHM C=C(C)CCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085444 1120134772 /nfs/dbraw/zinc/13/47/72/1120134772.db2.gz FXGLRJIJSGWBGZ-UHFFFAOYSA-N -1 3 280.274 3.624 20 30 CHEDHM N#Cc1c2c(sc1Nc1c(F)cc([O-])cc1F)CCC2 ZINC001175095050 1121184450 /nfs/dbraw/zinc/18/44/50/1121184450.db2.gz YTIBMQSPYHSVBV-UHFFFAOYSA-N -1 3 292.310 3.836 20 30 CHEDHM COc1cc(Cl)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001176344512 1121602327 /nfs/dbraw/zinc/60/23/27/1121602327.db2.gz MGSOURQAFKQPIX-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1ccc(F)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176624458 1121662904 /nfs/dbraw/zinc/66/29/04/1121662904.db2.gz HXJIJBLFOAPQHY-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM COc1cc(C#N)c(F)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176626126 1121665254 /nfs/dbraw/zinc/66/52/54/1121665254.db2.gz YQJFXRNKSUEPHM-UHFFFAOYSA-N -1 3 292.697 3.809 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccccc1 ZINC000730586108 1121815552 /nfs/dbraw/zinc/81/55/52/1121815552.db2.gz BIGRLKAGURLPHO-JMZICWNOSA-N -1 3 268.287 3.915 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccccc1 ZINC000730586111 1121816176 /nfs/dbraw/zinc/81/61/76/1121816176.db2.gz BIGRLKAGURLPHO-WJEYQPDNSA-N 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IDMJHMXKBONKSO-UHFFFAOYSA-N -1 3 289.762 3.691 20 30 CHEDHM CC1(C(=O)N([O-])Cc2ccc(F)cc2)CCCCC1 ZINC001184348354 1122273231 /nfs/dbraw/zinc/27/32/31/1122273231.db2.gz MTTUTBMVOCFCNU-UHFFFAOYSA-N -1 3 265.328 3.514 20 30 CHEDHM CCCCCCCNC(=O)Nc1ncc([O-])cc1Cl ZINC001191088781 1122577052 /nfs/dbraw/zinc/57/70/52/1122577052.db2.gz PNEJQYSMVRWGDH-UHFFFAOYSA-N -1 3 285.775 3.533 20 30 CHEDHM N#Cc1ccc(C=CNc2cc([O-])c(F)cc2F)cc1 ZINC001203305814 1122923790 /nfs/dbraw/zinc/92/37/90/1122923790.db2.gz QGGWYBXUKGWHCA-AATRIKPKSA-N -1 3 272.254 3.625 20 30 CHEDHM CC(C)C(=O)Nc1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001198081977 1122980037 /nfs/dbraw/zinc/98/00/37/1122980037.db2.gz JNNMAYYUNKJOKC-UHFFFAOYSA-N -1 3 295.342 3.602 20 30 CHEDHM CCCc1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000633899222 1129093338 /nfs/dbraw/zinc/09/33/38/1129093338.db2.gz FDARLPRTEQJLFB-GFCCVEGCSA-N -1 3 270.357 3.586 20 30 CHEDHM CC(C)(C#N)c1cccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201222937 1123081335 /nfs/dbraw/zinc/08/13/35/1123081335.db2.gz SYORAMMKRDWQBL-UHFFFAOYSA-N -1 3 297.314 3.845 20 30 CHEDHM C=CCCO[N-]C(=O)CCc1ccc(Cl)cc1Cl ZINC000856029976 1123545301 /nfs/dbraw/zinc/54/53/01/1123545301.db2.gz KXTYSGMMYDKXPG-UHFFFAOYSA-N -1 3 288.174 3.550 20 30 CHEDHM Cc1cccc(F)c1NN=Cc1c(F)ccc([O-])c1F ZINC000794534284 1123871386 /nfs/dbraw/zinc/87/13/86/1123871386.db2.gz GRBNRDXMEKADKL-UHFFFAOYSA-N -1 3 280.249 3.564 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1csc(C(F)(F)F)c1 ZINC000863494884 1123872961 /nfs/dbraw/zinc/87/29/61/1123872961.db2.gz WQSOIYXGRHDUIX-UHFFFAOYSA-N -1 3 299.264 3.595 20 30 CHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)c(Cl)cc1F ZINC000794675776 1123926988 /nfs/dbraw/zinc/92/69/88/1123926988.db2.gz GBVDMQIZFRNTMT-UHFFFAOYSA-N -1 3 295.697 3.655 20 30 CHEDHM CC(C)OC(=O)CC[C@@H](C)/N=C/c1cc(Cl)ccc1[O-] ZINC000794833184 1123966832 /nfs/dbraw/zinc/96/68/32/1123966832.db2.gz LUWJHQLLKJYAAC-LBFZPMSMSA-N -1 3 297.782 3.585 20 30 CHEDHM COc1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794926091 1124073542 /nfs/dbraw/zinc/07/35/42/1124073542.db2.gz IQTIYFUREGPLET-ALCCZGGFSA-N -1 3 290.265 3.575 20 30 CHEDHM Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794926048 1124073742 /nfs/dbraw/zinc/07/37/42/1124073742.db2.gz HUDFPRMVGCSBGJ-SOFGYWHQSA-N -1 3 274.266 3.875 20 30 CHEDHM CC1(C)CCC/C(=C\c2c(F)ccc([O-])c2F)C1=O ZINC000794940876 1124093843 /nfs/dbraw/zinc/09/38/43/1124093843.db2.gz DNPIUIPQENZVKK-CMDGGOBGSA-N -1 3 266.287 3.833 20 30 CHEDHM CCc1noc(CC)c1C/N=C/c1cc(Cl)ccc1[O-] ZINC000086960984 1129170327 /nfs/dbraw/zinc/17/03/27/1129170327.db2.gz VRXWBIVFFPYZRT-CAOOACKPSA-N -1 3 292.766 3.778 20 30 CHEDHM Cc1nc(C(C)C)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001122728594 1131302371 /nfs/dbraw/zinc/30/23/71/1131302371.db2.gz BZMVVKSNCFPGBA-CYBMUJFWSA-N -1 3 297.333 3.538 20 30 CHEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccc[nH]1 ZINC000760228724 1125312613 /nfs/dbraw/zinc/31/26/13/1125312613.db2.gz IGJRQWYAXWNUOR-KYZBGHIMSA-N -1 3 293.164 3.663 20 30 CHEDHM C=C[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621977224 1129211763 /nfs/dbraw/zinc/21/17/63/1129211763.db2.gz ACAXGRHKOCLRGH-LBPRGKRZSA-N -1 3 299.292 3.592 20 30 CHEDHM COc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1C ZINC001240865885 1129378783 /nfs/dbraw/zinc/37/87/83/1129378783.db2.gz XLMJVMAGBAVDTQ-RQZCQDPDSA-N -1 3 259.280 3.618 20 30 CHEDHM Cn1cnc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000743501724 1129528626 /nfs/dbraw/zinc/52/86/26/1129528626.db2.gz QKBVSNZBKQTDOM-UHFFFAOYSA-N -1 3 285.734 3.683 20 30 CHEDHM CC[C@H](/N=C\c1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000746394798 1129654919 /nfs/dbraw/zinc/65/49/19/1129654919.db2.gz RMGSPPZFGLMDJQ-XGHPXPSOSA-N -1 3 281.783 3.670 20 30 CHEDHM C=CCN(CC=C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768137585 1129834564 /nfs/dbraw/zinc/83/45/64/1129834564.db2.gz NOEWYYJGRWSAGI-UHFFFAOYSA-N -1 3 272.175 3.873 20 30 CHEDHM C=CCCc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000800720867 1129885924 /nfs/dbraw/zinc/88/59/24/1129885924.db2.gz HWEVXHSQKHSLCU-UHFFFAOYSA-N -1 3 283.327 3.673 20 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279.302 3.513 20 30 CHEDHM COc1ccc(OC)c(-c2ccc(/C(C)=N/[O-])cc2)c1 ZINC001239668646 1130043488 /nfs/dbraw/zinc/04/34/88/1130043488.db2.gz SPZIAUVFCAHVAA-GZTJUZNOSA-N -1 3 271.316 3.569 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cnc3ccccc3c2)cc1F ZINC001239797200 1130111904 /nfs/dbraw/zinc/11/19/04/1130111904.db2.gz XNOFVLZVCRVWOQ-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM C[C@H](NCC1(C#N)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903106873 1130113416 /nfs/dbraw/zinc/11/34/16/1130113416.db2.gz XLFMIVANCZWZLJ-QMMMGPOBSA-N -1 3 285.174 3.653 20 30 CHEDHM C=C[C@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000787311711 1130146878 /nfs/dbraw/zinc/14/68/78/1130146878.db2.gz YHOGKNUJNYPJMZ-LBPRGKRZSA-N -1 3 296.208 3.695 20 30 CHEDHM C=C[C@@H]1CCCCN1Cc1cccc(Br)c1[O-] ZINC000787311710 1130147029 /nfs/dbraw/zinc/14/70/29/1130147029.db2.gz YHOGKNUJNYPJMZ-GFCCVEGCSA-N -1 3 296.208 3.695 20 30 CHEDHM C=C[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000787311680 1130147040 /nfs/dbraw/zinc/14/70/40/1130147040.db2.gz YDVMYDJKIRETRA-SNVBAGLBSA-N -1 3 269.747 3.725 20 30 CHEDHM [O-]c1ccc(Cl)cc1C=Nc1n[nH]c2cc(F)ccc21 ZINC000788674390 1130199313 /nfs/dbraw/zinc/19/93/13/1130199313.db2.gz IUQIECPUSSXPAR-UHFFFAOYSA-N -1 3 289.697 3.812 20 30 CHEDHM C=CCCC/N=C/c1cc(Br)ccc1[O-] ZINC000790597878 1130320853 /nfs/dbraw/zinc/32/08/53/1130320853.db2.gz HFIAMJDULVAKGB-NTEUORMPSA-N -1 3 268.154 3.540 20 30 CHEDHM N#CC(=C([O-])C1=CCCCC1)c1nccc2ccccc21 ZINC000792098099 1130431448 /nfs/dbraw/zinc/43/14/48/1130431448.db2.gz BHELIGQHTWJZOT-INIZCTEOSA-N -1 3 276.339 3.911 20 30 CHEDHM Cc1c(F)cccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001240732507 1130445008 /nfs/dbraw/zinc/44/50/08/1130445008.db2.gz NYLFITQKFBOAHP-VLGSPTGOSA-N -1 3 255.292 3.926 20 30 CHEDHM C[Si](C)(C)C#Cc1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240786690 1130469395 /nfs/dbraw/zinc/46/93/95/1130469395.db2.gz ZVUAXDWNKHXOGE-UHFFFAOYSA-N -1 3 285.394 3.822 20 30 CHEDHM [O-]c1cccc(Cl)c1C=NOCc1ccc(F)cc1 ZINC000758143459 1130600599 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ZINC001234448565 1130645672 /nfs/dbraw/zinc/64/56/72/1130645672.db2.gz UTEAIMFXHLSNMV-ZDUSSCGKSA-N -1 3 277.682 3.828 20 30 CHEDHM C=CCn1ccc2c1ncnc2-c1cc([O-])cc(Cl)c1 ZINC001235898181 1130798033 /nfs/dbraw/zinc/79/80/33/1130798033.db2.gz COJQRPQZYZRBHH-UHFFFAOYSA-N -1 3 285.734 3.643 20 30 CHEDHM CC(=NOCCC1CC1)c1cc(Cl)ccc1[O-] ZINC000814247172 1130847607 /nfs/dbraw/zinc/84/76/07/1130847607.db2.gz URAUVCTZTUHPLU-UHFFFAOYSA-N -1 3 253.729 3.586 20 30 CHEDHM Cc1ccc(F)c(-c2ccc(F)c(C#N)c2F)c1[O-] ZINC001236413606 1130932668 /nfs/dbraw/zinc/93/26/68/1130932668.db2.gz BVLZBLUSVYOTQT-UHFFFAOYSA-N -1 3 263.218 3.657 20 30 CHEDHM CC(C)Oc1cncc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001236521932 1130963209 /nfs/dbraw/zinc/96/32/09/1130963209.db2.gz SSZVVQCFWQNNFL-ZPHPHTNESA-N -1 3 282.343 3.660 20 30 CHEDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC(S)CC1 ZINC001236798148 1131010321 /nfs/dbraw/zinc/01/03/21/1131010321.db2.gz HJBSHRHWLOFMHB-UHFFFAOYSA-N -1 3 292.231 3.593 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)oc1C ZINC000799894635 1131112476 /nfs/dbraw/zinc/11/24/76/1131112476.db2.gz ABIGCKZYQSWKIL-HYXAFXHYSA-N -1 3 278.254 3.776 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000846550152 1131712858 /nfs/dbraw/zinc/71/28/58/1131712858.db2.gz LFZVUQKSWRXWII-SECBINFHSA-N -1 3 288.174 3.548 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC000846555962 1131713028 /nfs/dbraw/zinc/71/30/28/1131713028.db2.gz WAFKUIHDHQFSIY-KGLIPLIRSA-N -1 3 291.391 3.591 20 30 CHEDHM C=CCN(Cc1cccc([O-])c1Br)C(C)(C)C ZINC001140555559 1131790593 /nfs/dbraw/zinc/79/05/93/1131790593.db2.gz NQWMGSUKCDOZAB-UHFFFAOYSA-N -1 3 298.224 3.941 20 30 CHEDHM C#C[C@@H](Oc1c(C(C)=O)ccc([O-])c1CCC)C(C)C ZINC001228135787 1131815665 /nfs/dbraw/zinc/81/56/65/1131815665.db2.gz HXQQXORXRICODY-MRXNPFEDSA-N -1 3 274.360 3.584 20 30 CHEDHM CC#C[C@@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228136150 1131816142 /nfs/dbraw/zinc/81/61/42/1131816142.db2.gz KTYQJLGFRWRRLE-CYBMUJFWSA-N -1 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HDIKGJNSCNSRGK-UHFFFAOYSA-N -1 3 294.335 3.731 20 30 CHEDHM C#C[C@@H](CCCC)Oc1cccc([O-])c1Br ZINC001229142977 1132027073 /nfs/dbraw/zinc/02/70/73/1132027073.db2.gz TUKGWYDPXIRGIT-JTQLQIEISA-N -1 3 283.165 3.726 20 30 CHEDHM C=CC[C@@H](C=C)Oc1cccc([O-])c1Br ZINC001229144041 1132027215 /nfs/dbraw/zinc/02/72/15/1132027215.db2.gz ZVVCOMDWDZGXLH-SECBINFHSA-N -1 3 269.138 3.664 20 30 CHEDHM CC#CC[C@H](CC)Oc1nc(=S)[n-]c2sccc21 ZINC001229568917 1132089098 /nfs/dbraw/zinc/08/90/98/1132089098.db2.gz HJGJSJUSOITRHK-VIFPVBQESA-N -1 3 278.402 3.551 20 30 CHEDHM C/C(=N\[O-])c1ccccc1O[C@@H]1CCc2ccccc2C1 ZINC001229736928 1132112133 /nfs/dbraw/zinc/11/21/33/1132112133.db2.gz LPQYFJQLLAYLGT-CXDFQFJYSA-N -1 3 281.355 3.821 20 30 CHEDHM [O-]c1ccccc1/N=C/c1ccccc1OC1CCOCC1 ZINC001229932297 1132132851 /nfs/dbraw/zinc/13/28/51/1132132851.db2.gz BPZYLJFAFQPBOA-CPNJWEJPSA-N -1 3 297.354 3.701 20 30 CHEDHM COC[C@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229934310 1132133857 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N#CC=C([O-])c1ccccc1O[C@H]1CCc2ccccc2C1 ZINC001233525461 1132633277 /nfs/dbraw/zinc/63/32/77/1132633277.db2.gz VIBGDQJJTCKLIH-INIZCTEOSA-N -1 3 291.350 3.719 20 30 CHEDHM C#C[C@@H](CC(C)C)Oc1cc(Cl)c([O-])cc1C ZINC001233593111 1132643858 /nfs/dbraw/zinc/64/38/58/1132643858.db2.gz UHFQJMBGLZKHGQ-NSHDSACASA-N -1 3 252.741 3.781 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001233802003 1132681177 /nfs/dbraw/zinc/68/11/77/1132681177.db2.gz FUGGWUBUTNIOMF-PZEKQYFXSA-N -1 3 277.364 3.707 20 30 CHEDHM CC[C@H]1CC[C@H](Oc2ccc(/C=N/[O-])cc2OC)CC1 ZINC001233801996 1132681216 /nfs/dbraw/zinc/68/12/16/1132681216.db2.gz FTYXDBIFSQHSLT-DAALMZRNSA-N -1 3 277.364 3.851 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)Cc1ccccc1 ZINC001233802020 1132681825 /nfs/dbraw/zinc/68/18/25/1132681825.db2.gz FXVYUCHWHWPSMT-RNEAKCBISA-N -1 3 285.343 3.513 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1ccccc1C ZINC001233802935 1132681892 /nfs/dbraw/zinc/68/18/92/1132681892.db2.gz KETKHHJWILKDKB-FHXOWUIVSA-N -1 3 285.343 3.952 20 30 CHEDHM C=C(C)C[C@H](Oc1ccc(/C=N/[O-])cc1OC)C(=C)C ZINC001233807068 1132683191 /nfs/dbraw/zinc/68/31/91/1132683191.db2.gz NESOIRFLNGTTKC-ADFUCPMPSA-N -1 3 275.348 3.793 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(N3CCCCC3)c2)c1 ZINC001174303262 1132780889 /nfs/dbraw/zinc/78/08/89/1132780889.db2.gz QHKOHCRAKXSLLH-UHFFFAOYSA-N -1 3 293.370 3.998 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](CC)Oc1ccccc1F ZINC001161826968 1133032140 /nfs/dbraw/zinc/03/21/40/1133032140.db2.gz RDTFBIQSHLDDDJ-AWEZNQCLSA-N -1 3 297.370 3.781 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](OCCC)c1ccc(F)cc1C ZINC001161832690 1133034456 /nfs/dbraw/zinc/03/44/56/1133034456.db2.gz RJMHAMXBNKCDSX-HNNXBMFYSA-N -1 3 297.370 3.620 20 30 CHEDHM C[C@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C[C@@H](C)C1 ZINC001161842971 1133034718 /nfs/dbraw/zinc/03/47/18/1133034718.db2.gz VSGLPJJWGZIUNW-IMRBUKKESA-N -1 3 279.355 3.616 20 30 CHEDHM COc1ccc2c(c1)nccc2Nc1cc(C#N)ccc1[O-] ZINC001203525886 1133337427 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1134207794 /nfs/dbraw/zinc/20/77/94/1134207794.db2.gz SCLYDJGCZIOCNW-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM N#Cc1cc(F)c(Nc2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001210533144 1134241140 /nfs/dbraw/zinc/24/11/40/1134241140.db2.gz NGWNWZWHMPQERE-UHFFFAOYSA-N -1 3 287.681 3.672 20 30 CHEDHM N#Cc1cc(F)ccc1Nc1cc([O-])ccc1Cl ZINC001210555678 1134247402 /nfs/dbraw/zinc/24/74/02/1134247402.db2.gz JFFUSMNOASYFPE-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1ccccc1Nc1ccc([O-])c(Br)c1 ZINC001210739299 1134287422 /nfs/dbraw/zinc/28/74/22/1134287422.db2.gz QAVZYSGOIFNXBZ-UHFFFAOYSA-N -1 3 289.132 3.770 20 30 CHEDHM Cc1c(C#N)cccc1Nc1c([O-])cccc1Cl ZINC001216177612 1134797184 /nfs/dbraw/zinc/79/71/84/1134797184.db2.gz QZNDIAITIMMCFL-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM COc1ncc(Nc2ccc(C(C)C)cc2C#N)cc1[O-] ZINC001216210168 1134808387 /nfs/dbraw/zinc/80/83/87/1134808387.db2.gz YMPRPMTVPNYUIR-UHFFFAOYSA-N -1 3 283.331 3.534 20 30 CHEDHM COc1cc(Nc2cc(C#N)ccc2[O-])ccc1OC(C)C ZINC001216247831 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C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cccc(/C=N/[O-])c2)O1 ZINC001226114431 1135663919 /nfs/dbraw/zinc/66/39/19/1135663919.db2.gz JJHGBVNLEHCSSF-YQMBXKBSSA-N -1 3 289.375 3.776 20 30 CHEDHM C[C@H](CCc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226114808 1135663999 /nfs/dbraw/zinc/66/39/99/1135663999.db2.gz QORDXPJTIWGTME-QFGUUYLXSA-N -1 3 269.344 3.895 20 30 CHEDHM COc1ccc([C@@H](C)Oc2cccc(/C=N/[O-])c2)cc1 ZINC001226113846 1135664079 /nfs/dbraw/zinc/66/40/79/1135664079.db2.gz AOJJIUYEBHTBCI-PBSOMRJOSA-N -1 3 271.316 3.643 20 30 CHEDHM [O-]/N=C/c1cccc(OC2CCN(c3ccccc3)CC2)c1 ZINC001226115219 1135664312 /nfs/dbraw/zinc/66/43/12/1135664312.db2.gz YMVUIXVMTASYAX-XMHGGMMESA-N -1 3 296.370 3.543 20 30 CHEDHM Cc1ccccc1[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114281 1135664512 /nfs/dbraw/zinc/66/45/12/1135664512.db2.gz IROUCLOPCQDTPS-HNEYUBDGSA-N -1 3 255.317 3.943 20 30 CHEDHM C=C[C@@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226115350 1135665423 /nfs/dbraw/zinc/66/54/23/1135665423.db2.gz 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CC(=O)c1ccc(C(=O)N[C@H]2CCCCC2(C)C)cc1[O-] ZINC000331359184 264209362 /nfs/dbraw/zinc/20/93/62/264209362.db2.gz WDWUPROLCRAEHD-HNNXBMFYSA-N -1 3 289.375 3.868 20 30 CHEDHM N#Cc1ccc(CN(Cc2cc([O-])cc(F)c2)C2CC2)cc1 ZINC000186178815 329339073 /nfs/dbraw/zinc/33/90/73/329339073.db2.gz FRVCGLQHACYHCV-UHFFFAOYSA-N -1 3 296.345 3.568 20 30 CHEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(OC)cs2)s1 ZINC000080896950 330152660 /nfs/dbraw/zinc/15/26/60/330152660.db2.gz PTFMZISKSNXVGX-UHFFFAOYSA-N -1 3 292.385 3.505 20 30 CHEDHM C=CCC(C)(C)CNCc1cccc([O-])c1Cl ZINC000328074136 330311763 /nfs/dbraw/zinc/31/17/63/330311763.db2.gz AKBLPQCYGGXWOH-UHFFFAOYSA-N -1 3 253.773 3.738 20 30 CHEDHM C=CC[C@H](CC)NCc1cccc([O-])c1Br ZINC000315438950 330476239 /nfs/dbraw/zinc/47/62/39/330476239.db2.gz OVRXNNMPXPOFCZ-NSHDSACASA-N -1 3 284.197 3.599 20 30 CHEDHM C=CCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613338 330681508 /nfs/dbraw/zinc/68/15/08/330681508.db2.gz PXUVBTZOIMKYNK-UHFFFAOYSA-N -1 3 266.300 3.714 20 30 CHEDHM CC(C)(C)c1nc(C=Cc2cccc(C#N)c2)cc(=O)[n-]1 ZINC000470256047 331476754 /nfs/dbraw/zinc/47/67/54/331476754.db2.gz UDJPVHBERIPOQX-BQYQJAHWSA-N -1 3 279.343 3.522 20 30 CHEDHM C=CCSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000486978726 331953550 /nfs/dbraw/zinc/95/35/50/331953550.db2.gz CPZSALKXJDBBCD-CQSZACIVSA-N -1 3 294.379 3.850 20 30 CHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(Cl)c2C)nc(C)n1 ZINC000489882323 332071705 /nfs/dbraw/zinc/07/17/05/332071705.db2.gz HBXUUQDWOQBCTK-ZDUSSCGKSA-N -1 3 299.761 3.545 20 30 CHEDHM C=CCCc1ccccc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000492810032 332414571 /nfs/dbraw/zinc/41/45/71/332414571.db2.gz QYCYTKNAOPVDCC-MDZDMXLPSA-N -1 3 294.354 3.558 20 30 CHEDHM C=CCC(C)(C)c1noc(-c2cccc(CC)c2[O-])n1 ZINC000551136367 334239276 /nfs/dbraw/zinc/23/92/76/334239276.db2.gz LEGQGSJWBVJLCI-UHFFFAOYSA-N -1 3 272.348 3.858 20 30 CHEDHM Cc1c2ccccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000046439450 1125466659 /nfs/dbraw/zinc/46/66/59/1125466659.db2.gz KLRJNTNRAHTMLX-ZDUSSCGKSA-N -1 3 276.295 3.626 20 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N#Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175100472 1121164816 /nfs/dbraw/zinc/16/48/16/1121164816.db2.gz NUJNHUCSYYGOOO-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1cc(C#N)c(Nc2c(F)cc([O-])cc2F)s1 ZINC001175094792 1121183909 /nfs/dbraw/zinc/18/39/09/1121183909.db2.gz RRYLFEUWYWICMZ-UHFFFAOYSA-N -1 3 266.272 3.656 20 30 CHEDHM CCOc1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1F ZINC001175152721 1121186841 /nfs/dbraw/zinc/18/68/41/1121186841.db2.gz UYYCFMUIKCSLKW-UHFFFAOYSA-N -1 3 290.269 3.684 20 30 CHEDHM Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1C#N ZINC001175268126 1121269634 /nfs/dbraw/zinc/26/96/34/1121269634.db2.gz IDSWAIHPOAKJIL-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CC(C)(C)n1cc(C#N)cc1Nc1cccc([O-])c1F ZINC001212546669 1121279044 /nfs/dbraw/zinc/27/90/44/1121279044.db2.gz QNKAVPYHXMJULF-UHFFFAOYSA-N -1 3 273.311 3.703 20 30 CHEDHM COc1cc(Nc2cc(C#N)ccc2[O-])ccc1Cl ZINC001175772977 1121462241 /nfs/dbraw/zinc/46/22/41/1121462241.db2.gz JMQJHAKQHIHLFU-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(O)cc2C(F)(F)F)c1 ZINC001176340538 1121601368 /nfs/dbraw/zinc/60/13/68/1121601368.db2.gz QPCTXJDZQJIXJF-UHFFFAOYSA-N -1 3 294.232 3.732 20 30 CHEDHM COc1cccc(Nc2cc([O-])cc(Cl)c2)c1C#N ZINC001176624626 1121664073 /nfs/dbraw/zinc/66/40/73/1121664073.db2.gz MCMQGPBKNOUQTL-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM COc1ccc(C#N)c(Nc2cc([O-])cc(Cl)c2)c1 ZINC001176624720 1121664189 /nfs/dbraw/zinc/66/41/89/1121664189.db2.gz QMTLVOTULXIWLB-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM C=C(C)C[C@@H](Oc1ccc2c([O-])coc2c1)C(=C)C ZINC001225340278 1121748392 /nfs/dbraw/zinc/74/83/92/1121748392.db2.gz GYWPSVSSZHBRTN-OAHLLOKOSA-N -1 3 258.317 3.551 20 30 CHEDHM CCOc1ccc(C=Nc2ccc(F)c(C#N)c2)c([O-])c1 ZINC000728174545 1121777208 /nfs/dbraw/zinc/77/72/08/1121777208.db2.gz WMSVLYCRLXVYGR-UHFFFAOYSA-N -1 3 284.290 3.552 20 30 CHEDHM C=CCC[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC001179841367 1121914723 /nfs/dbraw/zinc/91/47/23/1121914723.db2.gz MLAYBWBFGWOVOD-NSHDSACASA-N -1 3 279.767 3.616 20 30 CHEDHM C=CCC[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC001179841365 1121914938 /nfs/dbraw/zinc/91/49/38/1121914938.db2.gz MLAYBWBFGWOVOD-LLVKDONJSA-N -1 3 279.767 3.616 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1cccc(F)c1F ZINC000732713821 1121933623 /nfs/dbraw/zinc/93/36/23/1121933623.db2.gz LPGUSSPSAKRPRP-DJKKODMXSA-N -1 3 295.716 3.985 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CC1CCSCC1 ZINC000733205057 1121965661 /nfs/dbraw/zinc/96/56/61/1121965661.db2.gz IYPIXLBKIZRAKX-DHDCSXOGSA-N -1 3 269.797 3.608 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001184305988 1122266608 /nfs/dbraw/zinc/26/66/08/1122266608.db2.gz ZHXQPLULSFESMA-WMZOPIPTSA-N -1 3 287.403 3.689 20 30 CHEDHM CCCCCCN([O-])C(=O)Cn1cc(C)c2ccccc21 ZINC001184305579 1122266923 /nfs/dbraw/zinc/26/69/23/1122266923.db2.gz MOPCFOMVFHIRCL-UHFFFAOYSA-N -1 3 288.391 3.748 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](C)Cc1ccccc1Cl ZINC001184314601 1122266966 /nfs/dbraw/zinc/26/69/66/1122266966.db2.gz BSDQVQZMEANBPU-NSHDSACASA-N -1 3 269.772 3.537 20 30 CHEDHM CCCCCCN([O-])C(=O)C(C)(C)Nc1ccccc1 ZINC001184314842 1122268085 /nfs/dbraw/zinc/26/80/85/1122268085.db2.gz NAXQLCDOCZLAMD-UHFFFAOYSA-N -1 3 278.396 3.675 20 30 CHEDHM Cc1cccc([O-])c1C(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001188648378 1122470536 /nfs/dbraw/zinc/47/05/36/1122470536.db2.gz HDCGLTDOMOXRHW-LBPRGKRZSA-N -1 3 280.327 3.580 20 30 CHEDHM CC(C)c1ccccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001190266027 1122531075 /nfs/dbraw/zinc/53/10/75/1122531075.db2.gz YHVBWKZWDGDSTK-UHFFFAOYSA-N -1 3 280.327 3.640 20 30 CHEDHM C=CCC(C)(C)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000436567420 1122562156 /nfs/dbraw/zinc/56/21/56/1122562156.db2.gz SOKXLTYDIDALKN-UHFFFAOYSA-N -1 3 258.321 3.604 20 30 CHEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)cc1[O-] ZINC000436685139 1122571184 /nfs/dbraw/zinc/57/11/84/1122571184.db2.gz AISJOAIIPXXHLR-UHFFFAOYSA-N -1 3 299.345 3.668 20 30 CHEDHM N#C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C1CCCCC1 ZINC000776398953 1123226866 /nfs/dbraw/zinc/22/68/66/1123226866.db2.gz FUVPHCBHSFHRSJ-CYBMUJFWSA-N -1 3 293.750 3.675 20 30 CHEDHM CO[C@@H](C/N=C\c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000852998179 1123417750 /nfs/dbraw/zinc/41/77/50/1123417750.db2.gz IAYPGIZSSVNJDP-MBBOSUJBSA-N -1 3 281.783 3.670 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCC1SCCS1 ZINC000852998518 1123417800 /nfs/dbraw/zinc/41/78/00/1123417800.db2.gz NMXPWZDLUPVEJP-ZSOIEALJSA-N -1 3 287.837 3.661 20 30 CHEDHM CC(C)[C@H](C#N)c1ccc(-c2ccc(=O)[n-]c2F)cc1 ZINC000854189864 1123473960 /nfs/dbraw/zinc/47/39/60/1123473960.db2.gz RCHBLCOHZFYVPW-AWEZNQCLSA-N -1 3 270.307 3.856 20 30 CHEDHM C=CCCO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC000856035161 1123545365 /nfs/dbraw/zinc/54/53/65/1123545365.db2.gz XCFPGNJAFULQOX-AWEZNQCLSA-N -1 3 291.391 3.593 20 30 CHEDHM COC(C)(C)CCN=Nc1nc2ccccc2[n-]c1=S ZINC000863125431 1123845913 /nfs/dbraw/zinc/84/59/13/1123845913.db2.gz VXCDXFLYYNIKHE-UHFFFAOYSA-N -1 3 290.392 3.505 20 30 CHEDHM C[C@H](CCC#N)CN=Nc1nc2ccccc2[n-]c1=S ZINC000863125178 1123846157 /nfs/dbraw/zinc/84/61/57/1123846157.db2.gz OYCIFJWFONDREY-SNVBAGLBSA-N -1 3 285.376 3.630 20 30 CHEDHM C=C(C)C[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000864530560 1123933958 /nfs/dbraw/zinc/93/39/58/1123933958.db2.gz GIJSYXIQHWPBQP-LBPRGKRZSA-N -1 3 288.174 3.502 20 30 CHEDHM C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1cccc(C#N)c1[O-] ZINC000866237210 1124039660 /nfs/dbraw/zinc/03/96/60/1124039660.db2.gz GIEXRXWXZAHKBW-WQGACYEGSA-N -1 3 296.370 3.831 20 30 CHEDHM C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1cccc(C#N)c1[O-] ZINC000866237208 1124039745 /nfs/dbraw/zinc/03/97/45/1124039745.db2.gz GIEXRXWXZAHKBW-MQIPJXDCSA-N -1 3 296.370 3.831 20 30 CHEDHM COc1cccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794926092 1124073353 /nfs/dbraw/zinc/07/33/53/1124073353.db2.gz IQTIYFUREGPLET-FNORWQNLSA-N -1 3 290.265 3.575 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000794925859 1124074342 /nfs/dbraw/zinc/07/43/42/1124074342.db2.gz FGTODGCUUWMZOF-ALCCZGGFSA-N -1 3 278.229 3.706 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccc(F)c1 ZINC000794925814 1124074807 /nfs/dbraw/zinc/07/48/07/1124074807.db2.gz DLEUNIGMHNBGQM-GQCTYLIASA-N -1 3 278.229 3.706 20 30 CHEDHM O=C1c2ccc(F)cc2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794942084 1124094779 /nfs/dbraw/zinc/09/47/79/1124094779.db2.gz HLHWJQULMOWPOS-VQHVLOKHSA-N -1 3 290.240 3.632 20 30 CHEDHM C=C[C@@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130425 1124480099 /nfs/dbraw/zinc/48/00/99/1124480099.db2.gz AMYFGYUNFFSVTB-LBPRGKRZSA-N -1 3 262.349 3.891 20 30 CHEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccc([O-])c1F ZINC000872057998 1124669165 /nfs/dbraw/zinc/66/91/65/1124669165.db2.gz LYKXTUQHCFNSTC-LBPRGKRZSA-N -1 3 296.345 3.743 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cccc(F)c2F)ccc1[O-] ZINC000209921479 1125208123 /nfs/dbraw/zinc/20/81/23/1125208123.db2.gz GKXPKKPXDBCGSQ-ALCCZGGFSA-N -1 3 290.265 3.575 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CC=CCC1 ZINC000735978709 1129361391 /nfs/dbraw/zinc/36/13/91/1129361391.db2.gz JUVAYBGCNZCJKZ-ZENNRRHLSA-N -1 3 280.165 3.682 20 30 CHEDHM C=C(C)[C@@H]([N-]C(=O)C(F)(F)CC)c1ccc(F)c(F)c1 ZINC000832370589 1129426163 /nfs/dbraw/zinc/42/61/63/1129426163.db2.gz YWSWDHWPDDKJHR-GFCCVEGCSA-N -1 3 289.272 3.744 20 30 CHEDHM CC(=NNc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000743450003 1129525541 /nfs/dbraw/zinc/52/55/41/1129525541.db2.gz KCQSBGCWMIEBHN-UHFFFAOYSA-N -1 3 296.157 3.930 20 30 CHEDHM CCOc1ccccc1-c1cc(/C=N/[O-])ccc1F ZINC001239561102 1131386874 /nfs/dbraw/zinc/38/68/74/1131386874.db2.gz URLQZOUBTYQKCR-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM CCOc1ccccc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001239561359 1131387300 /nfs/dbraw/zinc/38/73/00/1131387300.db2.gz ZOYLPLIBQFXPON-VLGSPTGOSA-N -1 3 267.328 3.877 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCSCC(F)(F)F ZINC000769549442 1129917076 /nfs/dbraw/zinc/91/70/76/1129917076.db2.gz RPIATKSLLVANPT-OMCISZLKSA-N -1 3 297.729 3.760 20 30 CHEDHM O=C([C@@H]1CCCC[C@H]1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901372307 1129917353 /nfs/dbraw/zinc/91/73/53/1129917353.db2.gz BWPOPRKKXFMFQX-JKSUJKDBSA-N -1 3 291.366 3.760 20 30 CHEDHM O=C(N([O-])Cc1cccc2ccccc21)C1(C2CC2)CC1 ZINC000901369698 1129917395 /nfs/dbraw/zinc/91/73/95/1129917395.db2.gz FZYJRORFGNWNHR-UHFFFAOYSA-N -1 3 281.355 3.748 20 30 CHEDHM CC[C@H]1CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371797 1129917473 /nfs/dbraw/zinc/91/74/73/1129917473.db2.gz IHJNHYHNROXNNA-ZFWWWQNUSA-N -1 3 279.355 3.760 20 30 CHEDHM Cc1cocc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370701 1129917629 /nfs/dbraw/zinc/91/76/29/1129917629.db2.gz DVGMUIBPCBDIRJ-UHFFFAOYSA-N -1 3 281.311 3.773 20 30 CHEDHM CCC[C@@H]1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372318 1129918079 /nfs/dbraw/zinc/91/80/79/1129918079.db2.gz BYNNAHSEAPHULC-UKRRQHHQSA-N -1 3 279.355 3.760 20 30 CHEDHM O=C(CCC1CCCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901378191 1129918820 /nfs/dbraw/zinc/91/88/20/1129918820.db2.gz FJHIYNUBVJNZEH-UHFFFAOYSA-N -1 3 279.355 3.904 20 30 CHEDHM C#Cc1cccc(N(CC)C(=O)c2cc(CC)ccc2[O-])c1 ZINC000769763137 1129922375 /nfs/dbraw/zinc/92/23/75/1129922375.db2.gz ROSNZGTUULUUNH-UHFFFAOYSA-N -1 3 293.366 3.603 20 30 CHEDHM CC(C)CNC(=O)c1ccc(-c2ccccc2C=N[O-])cc1 ZINC001239917757 1130152535 /nfs/dbraw/zinc/15/25/35/1130152535.db2.gz VMTHGNKEMWUJRB-UHFFFAOYSA-N -1 3 296.370 3.548 20 30 CHEDHM [O-]/N=C/c1cccc(-c2c3cc[nH]c3ccc2F)c1 ZINC001240216621 1130236105 /nfs/dbraw/zinc/23/61/05/1130236105.db2.gz UHVOCCMAUIVHEF-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM [O-]/N=C/c1ccc(F)c(-c2c3cc[nH]c3ccc2F)c1 ZINC001240219644 1130238240 /nfs/dbraw/zinc/23/82/40/1130238240.db2.gz MJOIDDPJTYOBBD-UFWORHAWSA-N -1 3 272.254 3.921 20 30 CHEDHM [O-]/N=C/c1cccc(-c2ccc3ncsc3c2)c1 ZINC001240347346 1130273810 /nfs/dbraw/zinc/27/38/10/1130273810.db2.gz ZTHSHVQPMPIUSB-LZYBPNLTSA-N -1 3 254.314 3.771 20 30 CHEDHM [O-]N=Cc1ccccc1-c1cccc(-c2cc[nH]n2)c1 ZINC001240565093 1130362495 /nfs/dbraw/zinc/36/24/95/1130362495.db2.gz WOFONKUKEDELBS-UHFFFAOYSA-N -1 3 263.300 3.552 20 30 CHEDHM [O-]/N=C/c1cccc(-c2ccc(N3CCCCC3)nc2)c1 ZINC001240584998 1130372206 /nfs/dbraw/zinc/37/22/06/1130372206.db2.gz WUFXMKCPNLCBHX-XDHOZWIPSA-N -1 3 281.359 3.547 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(C#N)cc2F)ccc1[O-] ZINC000772809307 1130477785 /nfs/dbraw/zinc/47/77/85/1130477785.db2.gz YAOYADOASHSIBK-QPJJXVBHSA-N -1 3 281.286 3.608 20 30 CHEDHM COc1cc(C=NNCC2(C)CCCC2)cc(Cl)c1[O-] ZINC000793089036 1130517712 /nfs/dbraw/zinc/51/77/12/1130517712.db2.gz DBCISEYAFGUYSB-UHFFFAOYSA-N -1 3 296.798 3.558 20 30 CHEDHM C=CCCC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394678 1130607377 /nfs/dbraw/zinc/60/73/77/1130607377.db2.gz XNSRVQVBTJQKMW-UHFFFAOYSA-N -1 3 297.763 3.575 20 30 CHEDHM Cc1ccccc1[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144192 1130611229 /nfs/dbraw/zinc/61/12/29/1130611229.db2.gz KNESOZWGMSREHR-GFCCVEGCSA-N -1 3 253.301 3.712 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001234143012 1130611328 /nfs/dbraw/zinc/61/13/28/1130611328.db2.gz ZEVRLVOUKBUVTO-CQSZACIVSA-N -1 3 293.244 3.946 20 30 CHEDHM CC[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234142894 1130611335 /nfs/dbraw/zinc/61/13/35/1130611335.db2.gz YIYDFYMJXWMHEI-MRXNPFEDSA-N -1 3 253.301 3.794 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001234143010 1130611412 /nfs/dbraw/zinc/61/14/12/1130611412.db2.gz ZEVRLVOUKBUVTO-AWEZNQCLSA-N -1 3 293.244 3.946 20 30 CHEDHM Cc1cccc2c1[C@@H](Oc1cc([O-])cc(C#N)c1)CC2 ZINC001234142448 1130611423 /nfs/dbraw/zinc/61/14/23/1130611423.db2.gz VMPKCZPWOSUPRC-INIZCTEOSA-N -1 3 265.312 3.639 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@@H]2CCc3c2cc(F)cc3F)c1 ZINC001234144436 1130612215 /nfs/dbraw/zinc/61/22/15/1130612215.db2.gz OEFPLBPLBLOHLS-MRXNPFEDSA-N -1 3 287.265 3.608 20 30 CHEDHM CC#CC[C@H](CC)Oc1c(Cl)ccc([O-])c1F ZINC001234263305 1130625203 /nfs/dbraw/zinc/62/52/03/1130625203.db2.gz WUUYWPAQFRSYEJ-VIFPVBQESA-N -1 3 256.704 3.756 20 30 CHEDHM C#C[C@H](CCCC)Oc1c(Cl)ccc([O-])c1F ZINC001234263096 1130625219 /nfs/dbraw/zinc/62/52/19/1130625219.db2.gz RDQGBXAEXWNUDJ-SECBINFHSA-N -1 3 256.704 3.756 20 30 CHEDHM CC#CC[C@@H](CC)Oc1c(Cl)ccc([O-])c1F ZINC001234263304 1130625464 /nfs/dbraw/zinc/62/54/64/1130625464.db2.gz WUUYWPAQFRSYEJ-SECBINFHSA-N -1 3 256.704 3.756 20 30 CHEDHM CC(=NOC/C=C/Cl)c1cc(Cl)ccc1[O-] ZINC000811670240 1130633532 /nfs/dbraw/zinc/63/35/32/1130633532.db2.gz NJYJAPAFDVNVLJ-MSVOIAIGSA-N -1 3 260.120 3.539 20 30 CHEDHM CCOc1cc(C=NOC/C=C\Cl)cc(Cl)c1[O-] ZINC000811670760 1130634986 /nfs/dbraw/zinc/63/49/86/1130634986.db2.gz CBVDCUZDEUSURD-CVBINVGWSA-N -1 3 290.146 3.547 20 30 CHEDHM C=CC[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1ccccc1 ZINC001234448298 1130644150 /nfs/dbraw/zinc/64/41/50/1130644150.db2.gz UTEWLPIERGMCDO-OAHLLOKOSA-N -1 3 280.327 3.965 20 30 CHEDHM CSc1ncc(C)cc1-c1ccccc1C=N[O-] ZINC001244881812 1130676251 /nfs/dbraw/zinc/67/62/51/1130676251.db2.gz GXZLMSAZVXZMIJ-UHFFFAOYSA-N -1 3 258.346 3.587 20 30 CHEDHM C=C[C@]1(C)CC[C@H](Oc2nc3ccsc3[n-]2)C(C)(C)O1 ZINC001234848185 1130681450 /nfs/dbraw/zinc/68/14/50/1130681450.db2.gz MUPPKWRSHAOPCU-XHDPSFHLSA-N -1 3 292.404 3.906 20 30 CHEDHM C=C[C@]1(C)CC[C@H](Oc2nc3sccc3[n-]2)C(C)(C)O1 ZINC001234848185 1130681453 /nfs/dbraw/zinc/68/14/53/1130681453.db2.gz MUPPKWRSHAOPCU-XHDPSFHLSA-N -1 3 292.404 3.906 20 30 CHEDHM N#CC(=C([O-])C1=CCCCC1)c1cc(C(F)(F)F)ccn1 ZINC000813212113 1130746327 /nfs/dbraw/zinc/74/63/27/1130746327.db2.gz XTMMEXSYLVLMAV-GFCCVEGCSA-N -1 3 294.276 3.777 20 30 CHEDHM C=CCN(Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000813338434 1130761545 /nfs/dbraw/zinc/76/15/45/1130761545.db2.gz HPRLQIQTLHQPEY-UHFFFAOYSA-N -1 3 257.308 3.724 20 30 CHEDHM COc1ccc(NN=Cc2ccc([O-])c(F)c2)cc1Cl ZINC000782231044 1130764038 /nfs/dbraw/zinc/76/40/38/1130764038.db2.gz QQRIYGJVFOZFNU-UHFFFAOYSA-N -1 3 294.713 3.639 20 30 CHEDHM N#Cc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001245072679 1130785035 /nfs/dbraw/zinc/78/50/35/1130785035.db2.gz PAJSPIQCIOPWNK-UHFFFAOYSA-N -1 3 268.316 3.660 20 30 CHEDHM [O-]c1c(C=Nn2cnc3ccccc32)ccc2ccccc12 ZINC000814779982 1130914326 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20 30 CHEDHM CC(C)c1ccc(C(=O)NC[C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000331239640 264176227 /nfs/dbraw/zinc/17/62/27/264176227.db2.gz OKEYVFZDAVUDMP-CHWSQXEVSA-N -1 3 291.391 3.635 20 30 CHEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000188647561 264238707 /nfs/dbraw/zinc/23/87/07/264238707.db2.gz BVZWCEWEMBXHHS-HNNXBMFYSA-N -1 3 297.782 3.521 20 30 CHEDHM C=CCOc1cccc(NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000557560388 327013231 /nfs/dbraw/zinc/01/32/31/327013231.db2.gz NESDNITYUGLQSB-UHFFFAOYSA-N -1 3 297.354 3.772 20 30 CHEDHM Cc1scc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000180731713 329222748 /nfs/dbraw/zinc/22/27/48/329222748.db2.gz PCWAUZLSKVIXFG-LLVKDONJSA-N -1 3 295.367 3.731 20 30 CHEDHM C=CCC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000182851910 329245354 /nfs/dbraw/zinc/24/53/54/329245354.db2.gz VHYBTECYNQBJOA-QGZVFWFLSA-N -1 3 281.355 3.830 20 30 CHEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000525957042 329685535 /nfs/dbraw/zinc/68/55/35/329685535.db2.gz KLBVZYRXAKXFLI-ZDUSSCGKSA-N -1 3 298.180 3.696 20 30 CHEDHM C=C(C)CCc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436686306 330682703 /nfs/dbraw/zinc/68/27/03/330682703.db2.gz OCVQAWWVDOSADH-UHFFFAOYSA-N -1 3 284.359 3.830 20 30 CHEDHM C=CCc1cc(/C=C/c2ncccc2C#N)cc(OC)c1[O-] ZINC000436934464 330689198 /nfs/dbraw/zinc/68/91/98/330689198.db2.gz SSVHJFZPGLLODX-BQYQJAHWSA-N -1 3 292.338 3.566 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000468004412 331426535 /nfs/dbraw/zinc/42/65/35/331426535.db2.gz LVOUTEQPESQVED-SNVBAGLBSA-N -1 3 267.756 3.895 20 30 CHEDHM C=CCCCCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000517390374 333098589 /nfs/dbraw/zinc/09/85/89/333098589.db2.gz ARPFNFBQRBXCTI-UHFFFAOYSA-N -1 3 293.382 3.717 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108951 600083761 /nfs/dbraw/zinc/08/37/61/600083761.db2.gz XLXKEIKIWADXQW-UHFFFAOYSA-N -1 3 299.345 3.712 20 30 CHEDHM C=C(CC)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823883236 608299102 /nfs/dbraw/zinc/29/91/02/608299102.db2.gz LWBMNIOFBURJBY-LLVKDONJSA-N -1 3 274.393 3.627 20 30 CHEDHM C=C(CC)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823883236 608299103 /nfs/dbraw/zinc/29/91/03/608299103.db2.gz LWBMNIOFBURJBY-LLVKDONJSA-N -1 3 274.393 3.627 20 30 CHEDHM CC[C@H](C)[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051914 1118274118 /nfs/dbraw/zinc/27/41/18/1118274118.db2.gz LAWJIDNPXLZJMI-LSDHHAIUSA-N -1 3 277.408 3.909 20 30 CHEDHM C=CCCCN(CC)Cc1cccc(C(=O)[O-])c1Cl ZINC000903960938 981076884 /nfs/dbraw/zinc/07/68/84/981076884.db2.gz IOEQPDPKTWMCMV-UHFFFAOYSA-N -1 3 281.783 3.826 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)ccc1[O-] ZINC000008322774 1125694441 /nfs/dbraw/zinc/69/44/41/1125694441.db2.gz GPZOETMVNSQQLG-GQCTYLIASA-N -1 3 298.338 3.619 20 30 CHEDHM N#CCCCCCC(=O)N([O-])CCCCc1ccccc1 ZINC000904196409 1126837961 /nfs/dbraw/zinc/83/79/61/1126837961.db2.gz URPRBMQOZRAFTD-UHFFFAOYSA-N -1 3 288.391 3.701 20 30 CHEDHM N#Cc1ccc(Nc2ncc(Cl)cc2[O-])c(Cl)c1 ZINC001213991729 1126838137 /nfs/dbraw/zinc/83/81/37/1126838137.db2.gz PQRWJSXJIVBTBM-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM CCCOc1ccc(F)cc1Nc1cc(C#N)ccc1[O-] ZINC001212199941 1128188397 /nfs/dbraw/zinc/18/83/97/1128188397.db2.gz BYJJGSGJUGEWFY-UHFFFAOYSA-N -1 3 286.306 3.935 20 30 CHEDHM C=CC[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000187398411 1128320831 /nfs/dbraw/zinc/32/08/31/1128320831.db2.gz YUCRISSACLYYCX-CYBMUJFWSA-N -1 3 285.318 3.830 20 30 CHEDHM COc1cc(C=NNc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000916250114 1128413585 /nfs/dbraw/zinc/41/35/85/1128413585.db2.gz KUIHORBSECAFCS-UHFFFAOYSA-N -1 3 290.750 3.809 20 30 CHEDHM CCOc1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000044025278 1128615611 /nfs/dbraw/zinc/61/56/11/1128615611.db2.gz FCKRFYUOBMBGRN-VQHVLOKHSA-N -1 3 298.338 3.696 20 30 CHEDHM COc1cc(C(=O)/C=C/C=C/c2ccc(F)cc2)ccc1[O-] ZINC000158708183 1128671018 /nfs/dbraw/zinc/67/10/18/1128671018.db2.gz HJDCDSHOPHFACW-ZUVMSYQZSA-N -1 3 298.313 3.992 20 30 CHEDHM C[C@@H](NN=Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000920386178 1128680018 /nfs/dbraw/zinc/68/00/18/1128680018.db2.gz STPULJYNXZMZTM-LLVKDONJSA-N -1 3 274.751 3.730 20 30 CHEDHM CC(=NNc1ccnc(F)c1)c1ccc2ccccc2c1[O-] ZINC000781134168 1128717312 /nfs/dbraw/zinc/71/73/12/1128717312.db2.gz UQOLJIYODDKUAJ-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccc2ccccc2n1)c1ccccn1 ZINC000254952069 1117915519 /nfs/dbraw/zinc/91/55/19/1117915519.db2.gz VKDNGKVPMCYLHO-SNGWPZLWSA-N -1 3 299.333 3.519 20 30 CHEDHM CCOc1cccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231976 1118053907 /nfs/dbraw/zinc/05/39/07/1118053907.db2.gz PELIJAIBRXJAJV-VQHVLOKHSA-N -1 3 282.339 3.995 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cccc(F)c2)ccc1[O-] ZINC000728232483 1118067220 /nfs/dbraw/zinc/06/72/20/1118067220.db2.gz UJJTUPSGIHCFHN-FNORWQNLSA-N -1 3 256.276 3.736 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](C)c1ccc(F)cc1F ZINC001649056450 1118283059 /nfs/dbraw/zinc/28/30/59/1118283059.db2.gz AFOIKOOGDUPEDG-LLVKDONJSA-N -1 3 285.334 3.866 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC001649061604 1118295583 /nfs/dbraw/zinc/29/55/83/1118295583.db2.gz SNFRDGPKGNTSDL-AWEZNQCLSA-N -1 3 293.407 3.904 20 30 CHEDHM Cc1ccc(NC2=CC(=O)C[C@H](C)C2)c(Cl)c1[O-] ZINC001210772739 1118381218 /nfs/dbraw/zinc/38/12/18/1118381218.db2.gz LHYDBSIXERHSDE-MRVPVSSYSA-N -1 3 265.740 3.649 20 30 CHEDHM Cc1ccc(F)c(Nc2cc(F)cc(C#N)c2)c1[O-] ZINC001215738797 1118572084 /nfs/dbraw/zinc/57/20/84/1118572084.db2.gz BLVAMTCBMXHVQQ-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000728429773 1118933044 /nfs/dbraw/zinc/93/30/44/1118933044.db2.gz PKXUMTMKYRHWRV-LLVKDONJSA-N -1 3 272.323 3.606 20 30 CHEDHM Cc1cccc([C@@H](O)C/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000255513216 1119114670 /nfs/dbraw/zinc/11/46/70/1119114670.db2.gz YLTNUESTKJUHMG-RSFAQHHSSA-N -1 3 289.762 3.507 20 30 CHEDHM C=CCCOCCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000342986270 1119272945 /nfs/dbraw/zinc/27/29/45/1119272945.db2.gz YTQIMUNVWQOUNO-UHFFFAOYSA-N -1 3 297.782 3.747 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2cccnc2Cl)ccc1[O-] ZINC000728697783 1120161228 /nfs/dbraw/zinc/16/12/28/1120161228.db2.gz JHTNADXZEBEDKT-QPJJXVBHSA-N -1 3 273.719 3.645 20 30 CHEDHM Cc1ccc(C)c(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212492732 1120383098 /nfs/dbraw/zinc/38/30/98/1120383098.db2.gz IMGDAQPTSSMPBX-UHFFFAOYSA-N -1 3 274.270 3.903 20 30 CHEDHM Cc1ncccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000728785756 1120524075 /nfs/dbraw/zinc/52/40/75/1120524075.db2.gz LVJUKQPDYKRQSH-RILYUOAZSA-N -1 3 283.302 3.618 20 30 CHEDHM N#Cc1cc(Nc2ccc([O-])c(F)c2)ccc1N1CCCC1 ZINC001174738073 1121017900 /nfs/dbraw/zinc/01/79/00/1121017900.db2.gz TXPDHJAIUWEHLG-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM N#Cc1cc(F)cc(Nc2ccc(Cl)cc2[O-])c1 ZINC001175684815 1121431826 /nfs/dbraw/zinc/43/18/26/1121431826.db2.gz NZJASGZGXSJKFA-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(OCC3CC3)c2)c1 ZINC001176493017 1121638689 /nfs/dbraw/zinc/63/86/89/1121638689.db2.gz FREUBCYPTVAZOM-UHFFFAOYSA-N -1 3 280.327 3.796 20 30 CHEDHM Cc1cc(C#N)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001176625497 1121664161 /nfs/dbraw/zinc/66/41/61/1121664161.db2.gz ZAJQSILZYLXDJC-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM N#Cc1c(F)cc(F)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176625892 1121665712 /nfs/dbraw/zinc/66/57/12/1121665712.db2.gz RTCOXQRXRURWOQ-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC(=NNc1ccc(C)cn1)c1cc(Cl)ccc1[O-] ZINC000727259820 1121709408 /nfs/dbraw/zinc/70/94/08/1121709408.db2.gz KRCZVDFZNSOFMK-UHFFFAOYSA-N -1 3 275.739 3.585 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC001184305789 1122266797 /nfs/dbraw/zinc/26/67/97/1122266797.db2.gz QWMWOMURISAIIY-OAHLLOKOSA-N -1 3 293.432 3.810 20 30 CHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccccc2C(C)(C)C)o1 ZINC001189564097 1122504742 /nfs/dbraw/zinc/50/47/42/1122504742.db2.gz YCSVSXLRNZRGTH-UHFFFAOYSA-N -1 3 298.346 3.796 20 30 CHEDHM C=CC[C@H]1N(C(=O)c2ccccc2[O-])CCCC1(C)C ZINC000436815584 1122584773 /nfs/dbraw/zinc/58/47/73/1122584773.db2.gz LQQUALQXHJQUCB-OAHLLOKOSA-N -1 3 273.376 3.599 20 30 CHEDHM C=CCCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436838826 1122587978 /nfs/dbraw/zinc/58/79/78/1122587978.db2.gz LZAMSPVIAXPEGG-UHFFFAOYSA-N -1 3 297.354 3.833 20 30 CHEDHM CCCCCCCCCOC(=O)NCc1ncccc1[O-] ZINC001194920511 1122822161 /nfs/dbraw/zinc/82/21/61/1122822161.db2.gz INBKGHXFKZAQRP-UHFFFAOYSA-N -1 3 294.395 3.764 20 30 CHEDHM Cc1cccc(C)c1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001198363079 1122988696 /nfs/dbraw/zinc/98/86/96/1122988696.db2.gz ZICGGSVZROLMGW-UHFFFAOYSA-N -1 3 297.383 3.690 20 30 CHEDHM C=CCCC(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000620857243 1129097062 /nfs/dbraw/zinc/09/70/62/1129097062.db2.gz UCUSEFVVUKQSMX-UHFFFAOYSA-N -1 3 267.756 3.520 20 30 CHEDHM Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000330616117 1123122388 /nfs/dbraw/zinc/12/23/88/1123122388.db2.gz UVHBPKXKVNHUBV-AWEZNQCLSA-N -1 3 297.358 3.608 20 30 CHEDHM COc1ccc(C#N)cc1Nc1c([O-])cccc1Cl ZINC001201587800 1123128504 /nfs/dbraw/zinc/12/85/04/1123128504.db2.gz BQAAZEZOULJPFY-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000856034711 1123545440 /nfs/dbraw/zinc/54/54/40/1123545440.db2.gz KOXQDOUCEWJICZ-KGLIPLIRSA-N -1 3 273.376 3.600 20 30 CHEDHM CS[C@H]1CCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125223 1123845925 /nfs/dbraw/zinc/84/59/25/1123845925.db2.gz QGJDPXJCRIJSGY-NSHDSACASA-N -1 3 290.417 3.586 20 30 CHEDHM C=C(C)C[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000864529439 1123933723 /nfs/dbraw/zinc/93/37/23/1123933723.db2.gz IUIUVLDTTBCFSZ-MRVPVSSYSA-N -1 3 294.203 3.564 20 30 CHEDHM COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794925823 1124074235 /nfs/dbraw/zinc/07/42/35/1124074235.db2.gz DOTIAYRTLRZRSS-SOFGYWHQSA-N -1 3 290.265 3.575 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)ccc1O ZINC000794934242 1124084641 /nfs/dbraw/zinc/08/46/41/1124084641.db2.gz HPCYHUXFPYNDGH-ZZXKWVIFSA-N -1 3 290.265 3.581 20 30 CHEDHM O=C1c2cccc(F)c2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794935476 1124085484 /nfs/dbraw/zinc/08/54/84/1124085484.db2.gz RQGILIVWMIMGDU-FPLPWBNLSA-N -1 3 290.240 3.632 20 30 CHEDHM COc1cc(C(=O)/C=C/c2cccc(C)c2)c(OC)cc1[O-] ZINC000122504418 1124503232 /nfs/dbraw/zinc/50/32/32/1124503232.db2.gz UXKWJYNKKFIJQC-BQYQJAHWSA-N -1 3 298.338 3.614 20 30 CHEDHM CC(C)(C)c1csc(C(=O)[N-]c2sccc2C#N)n1 ZINC000875013629 1124876888 /nfs/dbraw/zinc/87/68/88/1124876888.db2.gz KNOWYZNBZUGJCL-UHFFFAOYSA-N -1 3 291.401 3.626 20 30 CHEDHM COc1ccc(Nc2cnc3cccc([O-])c3c2)c(C#N)c1 ZINC001212781991 1125106700 /nfs/dbraw/zinc/10/67/00/1125106700.db2.gz VXZSEAYDDXANIK-UHFFFAOYSA-N -1 3 291.310 3.564 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000880244219 1125259789 /nfs/dbraw/zinc/25/97/89/1125259789.db2.gz AEJDZSUGRPALBT-JTQLQIEISA-N -1 3 295.408 3.818 20 30 CHEDHM Cc1noc(C)c1[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000733749879 1129269882 /nfs/dbraw/zinc/26/98/82/1129269882.db2.gz DBWWVHXHDAALSJ-RBYRDDOMSA-N -1 3 278.739 3.831 20 30 CHEDHM C=CCN(Cc1cc(Cl)ccc1[O-])CC(F)(F)F ZINC000092471889 1129395616 /nfs/dbraw/zinc/39/56/16/1129395616.db2.gz KZFSJIHVYQGAKA-UHFFFAOYSA-N -1 3 279.689 3.596 20 30 CHEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])C12CCC2 ZINC000741465708 1129436897 /nfs/dbraw/zinc/43/68/97/1129436897.db2.gz XQBZVTFWNPBQRA-CKUJSUPYSA-N -1 3 293.794 3.812 20 30 CHEDHM CCc1cnc(CC/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000743044910 1129511916 /nfs/dbraw/zinc/51/19/16/1129511916.db2.gz UEHMDQIGNUJQME-LZYBPNLTSA-N -1 3 294.807 3.726 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(F)cc1F ZINC000745625300 1129610523 /nfs/dbraw/zinc/61/05/23/1129610523.db2.gz VPWXXTVUPDVING-QGMBQPNBSA-N -1 3 281.689 3.943 20 30 CHEDHM N#CCc1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591330 1129737039 /nfs/dbraw/zinc/73/70/39/1129737039.db2.gz GZSRXXCAOHBHIA-UHFFFAOYSA-N -1 3 258.708 3.855 20 30 CHEDHM C=CC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000900094541 1129864445 /nfs/dbraw/zinc/86/44/45/1129864445.db2.gz PDXODAPBUALFIV-QGZVFWFLSA-N -1 3 299.345 3.903 20 30 CHEDHM O=C([C@@H]1CC[C@H]2C[C@H]2C1)N([O-])Cc1cccc2ccccc21 ZINC000901371041 1129917536 /nfs/dbraw/zinc/91/75/36/1129917536.db2.gz LDFIRJNWOHFXEF-UXLLHSPISA-N -1 3 295.382 3.994 20 30 CHEDHM O=C([C@@H]1CCCC[C@@H]1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901372305 1129917633 /nfs/dbraw/zinc/91/76/33/1129917633.db2.gz BWPOPRKKXFMFQX-HZPDHXFCSA-N -1 3 291.366 3.760 20 30 CHEDHM CSc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375665 1129918185 /nfs/dbraw/zinc/91/81/85/1129918185.db2.gz IXOAJKYUTRKROA-UHFFFAOYSA-N -1 3 291.347 3.579 20 30 CHEDHM CC(C)C[C@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374955 1129918315 /nfs/dbraw/zinc/91/83/15/1129918315.db2.gz YABXIVVGDUSNRC-LBPRGKRZSA-N -1 3 267.344 3.616 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)ccc1[O-] ZINC000769611356 1129919305 /nfs/dbraw/zinc/91/93/05/1129919305.db2.gz YULDFUXGGKXYME-CLFYSBASSA-N -1 3 298.386 3.628 20 30 CHEDHM CC(N=Nc1nccc2sccc21)c1sccc1[O-] ZINC000769781071 1129925179 /nfs/dbraw/zinc/92/51/79/1129925179.db2.gz VOPDZLNVFHEEGM-UHFFFAOYSA-N -1 3 289.385 3.900 20 30 CHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(OC(F)F)nc1 ZINC000801646806 1129936133 /nfs/dbraw/zinc/93/61/33/1129936133.db2.gz WHOCWEGMAJZMKS-UHFFFAOYSA-N -1 3 298.676 3.793 20 30 CHEDHM CC(C)(O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240409330 1130295016 /nfs/dbraw/zinc/29/50/16/1130295016.db2.gz MLGFCEDIMAYPBA-VCHYOVAHSA-N -1 3 273.307 3.528 20 30 CHEDHM CCCCCCCC[S@](=O)c1ccc([O-])cc1 ZINC000790202741 1130298103 /nfs/dbraw/zinc/29/81/03/1130298103.db2.gz XMUQFSVCEMCORA-KRWDZBQOSA-N -1 3 254.395 3.860 20 30 CHEDHM Cn1ccc2ccc(-c3cc(/C=N/[O-])ccc3F)cc21 ZINC001240575790 1130369449 /nfs/dbraw/zinc/36/94/49/1130369449.db2.gz CLJSBOKOXRTUKG-VCHYOVAHSA-N -1 3 268.291 3.793 20 30 CHEDHM C/C(=N\[O-])c1ccc(-c2cncc(C(F)(F)F)c2)cc1 ZINC001240793692 1130475724 /nfs/dbraw/zinc/47/57/24/1130475724.db2.gz CZQSGUSGXUFIAY-DJKKODMXSA-N -1 3 280.249 3.966 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cccc3cccnc32)cc1F ZINC001240895687 1130507525 /nfs/dbraw/zinc/50/75/25/1130507525.db2.gz JSHUZRYNWGMLSW-VXLYETTFSA-N -1 3 266.275 3.849 20 30 CHEDHM Cc1ccc(F)cc1-c1ccc2c(c1)CC/C2=N/[O-] ZINC001240922987 1130519060 /nfs/dbraw/zinc/51/90/60/1130519060.db2.gz QCZMCUNZCFPYDD-VLGSPTGOSA-N -1 3 255.292 3.926 20 30 CHEDHM CC(=N[O-])c1ccc(O[C@@H](C#N)c2ccccc2F)cc1 ZINC001234078989 1130605964 /nfs/dbraw/zinc/60/59/64/1130605964.db2.gz AKXNPTIASMHVED-INIZCTEOSA-N -1 3 284.290 3.668 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCCc1nccs1 ZINC000811625026 1130624351 /nfs/dbraw/zinc/62/43/51/1130624351.db2.gz APRIPGNZEVNRII-OQLLNIDSSA-N -1 3 280.780 3.554 20 30 CHEDHM C[C@H]1CC(=NOC/C=C/Cl)c2c1c(F)ccc2[O-] ZINC000811670147 1130634872 /nfs/dbraw/zinc/63/48/72/1130634872.db2.gz YKQZOPBIZQTOOQ-VIQOGCGZSA-N -1 3 269.703 3.512 20 30 CHEDHM C=CCC(CC=C)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234789682 1130677592 /nfs/dbraw/zinc/67/75/92/1130677592.db2.gz BJGMUOHGIOZWOY-UHFFFAOYSA-N -1 3 290.359 3.811 20 30 CHEDHM C=CC[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)C(C)C ZINC001234792824 1130677932 /nfs/dbraw/zinc/67/79/32/1130677932.db2.gz JGUSONJCZBXMPT-CQSZACIVSA-N -1 3 292.375 3.891 20 30 CHEDHM C=CC[C@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)C(C)C ZINC001234792823 1130678104 /nfs/dbraw/zinc/67/81/04/1130678104.db2.gz JGUSONJCZBXMPT-AWEZNQCLSA-N -1 3 292.375 3.891 20 30 CHEDHM Cc1nn(C)c2cc(N=Cc3cc(Cl)ccc3[O-])ccc12 ZINC000812444202 1130690935 /nfs/dbraw/zinc/69/09/35/1130690935.db2.gz AQRVCZZSPPARMU-UHFFFAOYSA-N -1 3 299.761 3.991 20 30 CHEDHM N#CCc1cc(-c2ccc([O-])cc2Cl)ccc1C#N ZINC001245083442 1130800986 /nfs/dbraw/zinc/80/09/86/1130800986.db2.gz POQAHOPOHMRTBT-UHFFFAOYSA-N -1 3 268.703 3.650 20 30 CHEDHM CC(C)(C#N)CCCOC(=O)c1cccc(Cl)c1[O-] ZINC000784561995 1130911266 /nfs/dbraw/zinc/91/12/66/1130911266.db2.gz JRJOLLXMCKGLEY-UHFFFAOYSA-N -1 3 281.739 3.532 20 30 CHEDHM Cc1ccc(F)c(-c2ccc(/N=C/N(C)C)c(C#N)c2)c1[O-] ZINC001236413704 1130932693 /nfs/dbraw/zinc/93/26/93/1130932693.db2.gz DHLSYFXQDQUKMM-KEBDBYFISA-N -1 3 297.333 3.600 20 30 CHEDHM CCOc1ccc(NN=C(C)c2ccc([O-])cc2F)cc1 ZINC000814984123 1130947693 /nfs/dbraw/zinc/94/76/93/1130947693.db2.gz KNYRRMRXEGNHFJ-UHFFFAOYSA-N -1 3 288.322 3.766 20 30 CHEDHM C#C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237083388 1131047316 /nfs/dbraw/zinc/04/73/16/1131047316.db2.gz CMIPVBMVRFEBEP-JTQLQIEISA-N -1 3 284.186 3.544 20 30 CHEDHM CC(=NOC(C)(C)C)c1cc(Cl)cc(C)c1[O-] ZINC001117483732 1131187824 /nfs/dbraw/zinc/18/78/24/1131187824.db2.gz PHNFLJSLIXEGBG-UHFFFAOYSA-N -1 3 255.745 3.893 20 30 CHEDHM C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001138014900 1131452273 /nfs/dbraw/zinc/45/22/73/1131452273.db2.gz HIUJLLMELRINCF-UHFFFAOYSA-N -1 3 253.729 3.586 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(CC)c(C(C)(C)C)s1 ZINC000844703631 1131594926 /nfs/dbraw/zinc/59/49/26/1131594926.db2.gz HKGWPLAFNOUNJZ-VIFPVBQESA-N -1 3 297.424 3.631 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)CCCCc1ccc(Cl)cc1 ZINC001144590325 1131663477 /nfs/dbraw/zinc/66/34/77/1131663477.db2.gz ZOYYPHJIORLBNG-LBPRGKRZSA-N -1 3 281.783 3.675 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000846556133 1131712961 /nfs/dbraw/zinc/71/29/61/1131712961.db2.gz YEPHZCSFJNZNFL-RDBSUJKOSA-N -1 3 273.376 3.598 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000846549463 1131713155 /nfs/dbraw/zinc/71/31/55/1131713155.db2.gz NTANNTKKIIAYTJ-CQSZACIVSA-N -1 3 283.371 3.785 20 30 CHEDHM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001148319154 1131851734 /nfs/dbraw/zinc/85/17/34/1131851734.db2.gz XVBVJGJQZLNTRW-UHFFFAOYSA-N -1 3 280.327 3.640 20 30 CHEDHM C=CCOc1ccccc1[C@@H](C)Nc1ccc(=S)[n-]n1 ZINC001171374257 1131929102 /nfs/dbraw/zinc/92/91/02/1131929102.db2.gz YUKXVIWQFHYOTN-LLVKDONJSA-N -1 3 287.388 3.503 20 30 CHEDHM C=C[C@H](CCC)Oc1cccc([O-])c1Br ZINC001229141593 1132026291 /nfs/dbraw/zinc/02/62/91/1132026291.db2.gz KYNPIKLVMYMZSV-SECBINFHSA-N -1 3 271.154 3.888 20 30 CHEDHM C#C[C@H](CCCC)Oc1cccc([O-])c1Br ZINC001229142979 1132027063 /nfs/dbraw/zinc/02/70/63/1132027063.db2.gz TUKGWYDPXIRGIT-SNVBAGLBSA-N -1 3 283.165 3.726 20 30 CHEDHM C=CC[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229954761 1132136766 /nfs/dbraw/zinc/13/67/66/1132136766.db2.gz OUXJZGDMBKDKBL-HNNXBMFYSA-N -1 3 292.342 3.563 20 30 CHEDHM C=CC[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229954761 1132136773 /nfs/dbraw/zinc/13/67/73/1132136773.db2.gz OUXJZGDMBKDKBL-HNNXBMFYSA-N -1 3 292.342 3.563 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231072733 1132251812 /nfs/dbraw/zinc/25/18/12/1132251812.db2.gz GWYMYDYHAFSGOF-GOEBONIOSA-N -1 3 296.374 3.547 20 30 CHEDHM CCCCCCC[C@H](CCC)Nc1cnc(C)[n-]c1=O ZINC001172508408 1132255517 /nfs/dbraw/zinc/25/55/17/1132255517.db2.gz KHRJQTZKPIWSMM-LSDHHAIUSA-N -1 3 279.428 3.503 20 30 CHEDHM C[C@H](CS)Oc1ccccc1Oc1ccccc1[O-] ZINC001231222331 1132272597 /nfs/dbraw/zinc/27/25/97/1132272597.db2.gz DBQUIRXYSFRVRI-LLVKDONJSA-N -1 3 276.357 3.882 20 30 CHEDHM N#C[C@@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231523192 1132313782 /nfs/dbraw/zinc/31/37/82/1132313782.db2.gz QYEPIPIICMPHIZ-LLVKDONJSA-N -1 3 298.308 3.537 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCc2cc(F)ccc21 ZINC001233528139 1132632550 /nfs/dbraw/zinc/63/25/50/1132632550.db2.gz DSCHMEPRNYHHLF-GOSISDBHSA-N -1 3 295.313 3.988 20 30 CHEDHM C#C[C@H](CC(C)C)Oc1cc(Cl)c([O-])cc1C ZINC001233593110 1132643234 /nfs/dbraw/zinc/64/32/34/1132643234.db2.gz UHFQJMBGLZKHGQ-LLVKDONJSA-N -1 3 252.741 3.781 20 30 CHEDHM C#C[C@@H](Oc1cc(Cl)c([O-])cc1C)c1ccncc1 ZINC001233595625 1132645532 /nfs/dbraw/zinc/64/55/32/1132645532.db2.gz SEEMQGJZXQQLMN-CQSZACIVSA-N -1 3 273.719 3.502 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1cccc(F)c1 ZINC001233798838 1132679959 /nfs/dbraw/zinc/67/99/59/1132679959.db2.gz ANNUTCTVEFQLSY-VDCVXVNISA-N -1 3 289.306 3.782 20 30 CHEDHM CCCCC[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799494 1132681421 /nfs/dbraw/zinc/68/14/21/1132681421.db2.gz JXNKWHBNFBTRJM-PILJQMSFSA-N -1 3 265.353 3.851 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccc(C)cc1 ZINC001233803528 1132681447 /nfs/dbraw/zinc/68/14/47/1132681447.db2.gz QSNCOOVCIJQTHS-VBEHJTROSA-N -1 3 285.343 3.952 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCc2c1cccc2C ZINC001233801113 1132681808 /nfs/dbraw/zinc/68/18/08/1132681808.db2.gz VFTPHCGVBDRLAO-YDDPGSGASA-N -1 3 297.354 3.878 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CCc2cccc(C)c21 ZINC001233801169 1132681929 /nfs/dbraw/zinc/68/19/29/1132681929.db2.gz XPQJFVVRFWASTQ-ZVCOJXFSSA-N -1 3 297.354 3.878 20 30 CHEDHM C=CCC[C@@H](CC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233806986 1132683234 /nfs/dbraw/zinc/68/32/34/1132683234.db2.gz KZPQYEPSCWVDCQ-KWWJGWKXSA-N -1 3 263.337 3.627 20 30 CHEDHM CCCCCCCC[C@@H](C)CC(=O)Nc1ccncc1[O-] ZINC001160747524 1132979955 /nfs/dbraw/zinc/97/99/55/1132979955.db2.gz QPGSILAXFZOZOR-CQSZACIVSA-N -1 3 292.423 3.924 20 30 CHEDHM Cc1cc(F)cc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001161808090 1133030009 /nfs/dbraw/zinc/03/00/09/1133030009.db2.gz VXPZWDVQLVHFCX-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM O=C([C@H]1C[C@H]1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001161807805 1133030184 /nfs/dbraw/zinc/03/01/84/1133030184.db2.gz ORGUAYGJVMEIAL-KBPBESRZSA-N -1 3 293.794 3.884 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](CC)c1ccccc1 ZINC001161826957 1133032725 /nfs/dbraw/zinc/03/27/25/1133032725.db2.gz QTJAYMWPYOVJKE-OAHLLOKOSA-N -1 3 263.381 3.978 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001161826976 1133033009 /nfs/dbraw/zinc/03/30/09/1133033009.db2.gz RIHRLDSERGOSKB-CHWSQXEVSA-N -1 3 297.345 3.866 20 30 CHEDHM N#Cc1c(F)cc(Nc2cc(F)cc(F)c2[O-])cc1F ZINC001203681457 1133352899 /nfs/dbraw/zinc/35/28/99/1133352899.db2.gz ZKYLADRNWIRRTI-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM CCC(=O)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001204869632 1133494171 /nfs/dbraw/zinc/49/41/71/1133494171.db2.gz BJZSLCXBYIDNFD-LYHOESIGSA-N -1 3 297.354 3.602 20 30 CHEDHM CCOCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001204986665 1133513366 /nfs/dbraw/zinc/51/33/66/1133513366.db2.gz NICJVRZQHHHPSX-LYHOESIGSA-N -1 3 299.370 3.659 20 30 CHEDHM Cc1ccc(C#N)nc1-c1ccc([O-])cc1C(F)(F)F ZINC001205073482 1133523760 /nfs/dbraw/zinc/52/37/60/1133523760.db2.gz OLMRLYWHWRSBMT-UHFFFAOYSA-N -1 3 278.233 3.653 20 30 CHEDHM Cc1cc(Cl)nc(Nc2cccc(F)c2[O-])c1C#N ZINC001210197403 1134164683 /nfs/dbraw/zinc/16/46/83/1134164683.db2.gz WHDWJZIUWWTMPZ-UHFFFAOYSA-N -1 3 277.686 3.503 20 30 CHEDHM Cc1cc(C#N)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001210388292 1134205189 /nfs/dbraw/zinc/20/51/89/1134205189.db2.gz IIAIRZLRSJOMOY-UHFFFAOYSA-N -1 3 290.326 3.502 20 30 CHEDHM N#Cc1cc(Nc2cccc3c2CCCCC3=O)ccc1[O-] ZINC001210533058 1134241293 /nfs/dbraw/zinc/24/12/93/1134241293.db2.gz MEEVGWAIDHCSBJ-UHFFFAOYSA-N -1 3 292.338 3.917 20 30 CHEDHM Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(C#N)c1 ZINC001210568601 1134250954 /nfs/dbraw/zinc/25/09/54/1134250954.db2.gz LZEVQSJLEKDHTJ-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM N#Cc1ccccc1Nc1cc([O-])ccc1Br ZINC001210739602 1134286763 /nfs/dbraw/zinc/28/67/63/1134286763.db2.gz IDSCAVFBVCVBSU-UHFFFAOYSA-N -1 3 289.132 3.770 20 30 CHEDHM C#Cc1ccc(Nc2cccc([O-])c2Cl)cc1F ZINC001210860381 1134315079 /nfs/dbraw/zinc/31/50/79/1134315079.db2.gz YUECHMOZYQRBDO-UHFFFAOYSA-N -1 3 261.683 3.910 20 30 CHEDHM N#Cc1nc2ccc(Nc3ccc(F)c([O-])c3)cc2s1 ZINC001211218227 1134394724 /nfs/dbraw/zinc/39/47/24/1134394724.db2.gz NXUKWLSVQKSXDR-UHFFFAOYSA-N -1 3 285.303 3.756 20 30 CHEDHM CCCOc1ccccc1Nc1cc(C#N)ccc1[O-] ZINC001211382915 1134414395 /nfs/dbraw/zinc/41/43/95/1134414395.db2.gz MAOIDOJXYFQUSN-UHFFFAOYSA-N -1 3 268.316 3.796 20 30 CHEDHM Cc1noc([N-]c2cc(F)c(Cl)cc2F)c1C#N ZINC001213935339 1134498723 /nfs/dbraw/zinc/49/87/23/1134498723.db2.gz VTCXJFGASBQBHT-UHFFFAOYSA-N -1 3 269.638 3.530 20 30 CHEDHM Cc1oc([N-]c2ccc(C)cc2[N+](=O)[O-])c(C#N)c1C ZINC001214167615 1134515731 /nfs/dbraw/zinc/51/57/31/1134515731.db2.gz PLAJHZHEJDOZLC-UHFFFAOYSA-N -1 3 271.276 3.728 20 30 CHEDHM N#Cc1c(F)ccc(Nc2ccc(Cl)cc2[O-])c1F ZINC001214409811 1134536371 /nfs/dbraw/zinc/53/63/71/1134536371.db2.gz UHDWGBWCCNWTFB-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1nc(C#N)c([N-]c2c(F)ccc(OC(C)C)c2F)o1 ZINC001215172798 1134604782 /nfs/dbraw/zinc/60/47/82/1134604782.db2.gz MAHFKERNGFNHQD-UHFFFAOYSA-N -1 3 293.273 3.664 20 30 CHEDHM Cc1cc(C#N)cc(C)c1Nc1ncc(Cl)cc1[O-] ZINC001215645690 1134655479 /nfs/dbraw/zinc/65/54/79/1134655479.db2.gz TXTKVAUQDRJWBZ-UHFFFAOYSA-N -1 3 273.723 3.673 20 30 CHEDHM Cc1ccc(F)c(Nc2cccc(C#N)c2F)c1[O-] ZINC001215740761 1134670460 /nfs/dbraw/zinc/67/04/60/1134670460.db2.gz QAVLDBCKGKDCFI-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CCOc1cc(C)ccc1Nc1cc(C#N)ccc1[O-] ZINC001215876679 1134712165 /nfs/dbraw/zinc/71/21/65/1134712165.db2.gz VIMHPKXIBSFTGY-UHFFFAOYSA-N -1 3 268.316 3.715 20 30 CHEDHM Cc1cc(Nc2cccc(C#N)c2F)cc([O-])c1F ZINC001216080707 1134770574 /nfs/dbraw/zinc/77/05/74/1134770574.db2.gz JTMXIUAIFGEUAH-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1cc(Nc2ccc(C#N)c(C)c2)cc([O-])c1F ZINC001216084195 1134772121 /nfs/dbraw/zinc/77/21/21/1134772121.db2.gz YKRGAKNETFMPBN-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM N#Cc1c(Cl)cccc1Nc1cc(Cl)ncc1[O-] ZINC001216127486 1134785753 /nfs/dbraw/zinc/78/57/53/1134785753.db2.gz VBPRIBLZLDJJDU-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM Cc1c(C#N)cccc1Nc1cnc2cccc([O-])c2c1 ZINC001216174363 1134795057 /nfs/dbraw/zinc/79/50/57/1134795057.db2.gz HPGFOZLEHQSFNF-UHFFFAOYSA-N -1 3 275.311 3.864 20 30 CHEDHM N#Cc1ccc(Nc2cc(Cl)ccc2[O-])s1 ZINC001216399246 1134882545 /nfs/dbraw/zinc/88/25/45/1134882545.db2.gz YIDJPUWGSCBMNX-UHFFFAOYSA-N -1 3 250.710 3.722 20 30 CHEDHM C=C[C@H](CCCCC)Oc1ccc2c([O-])coc2c1 ZINC001225343276 1135547497 /nfs/dbraw/zinc/54/74/97/1135547497.db2.gz SUDSFBGCXCMSPW-GFCCVEGCSA-N -1 3 260.333 3.775 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225343443 1135548304 /nfs/dbraw/zinc/54/83/04/1135548304.db2.gz WQBRJFWJOGBVIW-GUYCJALGSA-N -1 3 284.355 3.942 20 30 CHEDHM CCOc1ccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cc1 ZINC001225468621 1135571599 /nfs/dbraw/zinc/57/15/99/1135571599.db2.gz BQGOLDBIUXYCMT-LBPRGKRZSA-N -1 3 298.342 3.506 20 30 CHEDHM Cc1ccc2c(c1)[C@H](Oc1cccc(/C=N/[O-])c1)CC2 ZINC001226110835 1135663431 /nfs/dbraw/zinc/66/34/31/1135663431.db2.gz WRVDLWSDSWUUMR-AUUUKSDWSA-N -1 3 267.328 3.869 20 30 CHEDHM N#CC[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226118905 1135665154 /nfs/dbraw/zinc/66/51/54/1135665154.db2.gz KBLBKTRAIYNEFM-AWEZNQCLSA-N -1 3 297.383 3.676 20 30 CHEDHM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1cc2ccccc2s1 ZINC001226253953 1135677924 /nfs/dbraw/zinc/67/79/24/1135677924.db2.gz OXBNKIKVBCSLIT-IYPWXLATSA-N -1 3 299.355 3.639 20 30 CHEDHM C=CC[C@@H](CCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531575 1135709044 /nfs/dbraw/zinc/70/90/44/1135709044.db2.gz CYIZIPUZOPPRRK-LBPRGKRZSA-N -1 3 288.343 3.931 20 30 CHEDHM C=CCC[C@@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226532133 1135709265 /nfs/dbraw/zinc/70/92/65/1135709265.db2.gz OIJQAWSEVWDLPO-GFCCVEGCSA-N -1 3 288.343 3.931 20 30 CHEDHM C=C(C)C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C(=C)C ZINC001226598726 1135718216 /nfs/dbraw/zinc/71/82/16/1135718216.db2.gz GGMLLXMTSOHTPR-CQSZACIVSA-N -1 3 286.327 3.788 20 30 CHEDHM CC(C)[C@H]1CC[C@H](Oc2cc(C#N)ccc2[O-])CC1 ZINC001227351692 1135825195 /nfs/dbraw/zinc/82/51/95/1135825195.db2.gz XOTSLYVTDINTJU-HDJSIYSDSA-N -1 3 259.349 3.857 20 30 CHEDHM CCOC(C)(C)C/N=C/c1c([O-])ccc2ccccc21 ZINC000186944721 262117491 /nfs/dbraw/zinc/11/74/91/262117491.db2.gz DKKAPNRPGOOFHD-WOJGMQOQSA-N -1 3 271.360 3.779 20 30 CHEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000274516229 263025268 /nfs/dbraw/zinc/02/52/68/263025268.db2.gz OCTFKTJTWWUZOB-CQSZACIVSA-N -1 3 292.379 3.610 20 30 CHEDHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c([O-])c1 ZINC000331228488 264151192 /nfs/dbraw/zinc/15/11/92/264151192.db2.gz FIBISWMMDSMYJJ-GXTWGEPZSA-N -1 3 272.348 3.512 20 30 CHEDHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c1 ZINC000331248085 264180168 /nfs/dbraw/zinc/18/01/68/264180168.db2.gz WRKKVEQKKQCCBE-KGLIPLIRSA-N -1 3 291.391 3.599 20 30 CHEDHM C=C1CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000356235114 266078873 /nfs/dbraw/zinc/07/88/73/266078873.db2.gz VIODFHIDGIUBCZ-UHFFFAOYSA-N -1 3 271.282 3.563 20 30 CHEDHM C=CCC(CC=C)C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000531833140 328041215 /nfs/dbraw/zinc/04/12/15/328041215.db2.gz MUTKSJLSUGUEQZ-UHFFFAOYSA-N -1 3 295.386 3.514 20 30 CHEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(C)ccc1[O-] ZINC000533871866 327227535 /nfs/dbraw/zinc/22/75/35/327227535.db2.gz MLRMMKSFWBXAAR-UHFFFAOYSA-N -1 3 295.382 3.572 20 30 CHEDHM Cc1nc(Sc2cccc([O-])c2)c(Cl)cc1C#N ZINC000336787814 328842608 /nfs/dbraw/zinc/84/26/08/328842608.db2.gz FUCKFPJLHCYVKD-UHFFFAOYSA-N -1 3 276.748 3.772 20 30 CHEDHM C=CCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274427676 330105840 /nfs/dbraw/zinc/10/58/40/330105840.db2.gz ZWQHNIAWORMDSN-LBPRGKRZSA-N -1 3 259.349 3.589 20 30 CHEDHM C=CC(C)(C)CNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000452784395 331077800 /nfs/dbraw/zinc/07/78/00/331077800.db2.gz ORIOFRSOFOBLBX-UHFFFAOYSA-N -1 3 297.398 3.806 20 30 CHEDHM C=CCN(Cc1cccs1)C(=O)c1cccc(C)c1[O-] ZINC000078430642 334133585 /nfs/dbraw/zinc/13/35/85/334133585.db2.gz RKARXSNJYGSVND-UHFFFAOYSA-N -1 3 287.384 3.591 20 30 CHEDHM CC(C)c1cc(C(=O)NCCCC#N)c([O-])c(C(C)C)c1 ZINC000581314614 336046976 /nfs/dbraw/zinc/04/69/76/336046976.db2.gz XVMFJZSIBALFMT-UHFFFAOYSA-N -1 3 288.391 3.673 20 30 CHEDHM CCSc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000350916521 529243380 /nfs/dbraw/zinc/24/33/80/529243380.db2.gz DRLIWYQPZTYZJD-AWEZNQCLSA-N -1 3 282.368 3.684 20 30 CHEDHM C#CC[C@H](NCc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000833360661 605134344 /nfs/dbraw/zinc/13/43/44/605134344.db2.gz NLHRLMFWFAUPRQ-HNNXBMFYSA-N -1 3 299.395 3.609 20 30 CHEDHM Cc1c2ccccc2oc1C([O-])=C(C#N)c1ccccn1 ZINC000046439451 1125467007 /nfs/dbraw/zinc/46/70/07/1125467007.db2.gz KLRJNTNRAHTMLX-CYBMUJFWSA-N -1 3 276.295 3.626 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1 ZINC001588832329 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ZINC000904170188 1126837626 /nfs/dbraw/zinc/83/76/26/1126837626.db2.gz GBYIPUZEMXYHGA-UHFFFAOYSA-N -1 3 293.313 3.993 20 30 CHEDHM CC[C@@H](CC(F)F)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192959 1126838513 /nfs/dbraw/zinc/83/85/13/1126838513.db2.gz GQDCEEKKPGAZCX-VIFPVBQESA-N -1 3 291.725 3.739 20 30 CHEDHM C=C[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816594066 1131109415 /nfs/dbraw/zinc/10/94/15/1131109415.db2.gz OEPNYLZDLWQEGQ-LLVKDONJSA-N -1 3 269.747 3.725 20 30 CHEDHM N#Cc1cccc(C2(NCc3cccc([O-])c3Cl)CC2)c1 ZINC000590186395 1127250797 /nfs/dbraw/zinc/25/07/97/1127250797.db2.gz HCJQGFGCHDCBAJ-UHFFFAOYSA-N -1 3 298.773 3.696 20 30 CHEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000005228201 1127392970 /nfs/dbraw/zinc/39/29/70/1127392970.db2.gz HVPOZUTUFWSQEK-VJCPFXPRSA-N -1 3 260.724 3.621 20 30 CHEDHM COc1cc(C(=O)/C=C/c2ccc(C)c(C)c2)ccc1[O-] ZINC000059269864 1127430534 /nfs/dbraw/zinc/43/05/34/1127430534.db2.gz UVAYJKRMGDARLK-SOFGYWHQSA-N -1 3 282.339 3.914 20 30 CHEDHM N#CC(=C([O-])c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000362141326 1127614042 /nfs/dbraw/zinc/61/40/42/1127614042.db2.gz WXWMPKRENHPQNP-SNVBAGLBSA-N -1 3 296.273 3.652 20 30 CHEDHM C=CCCc1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000410361318 1127807328 /nfs/dbraw/zinc/80/73/28/1127807328.db2.gz CYEDKQNSJYFDAB-UHFFFAOYSA-N -1 3 297.354 3.772 20 30 CHEDHM CCCCC(=O)[C@@H](CCCC)Oc1cc([O-])cc(C#N)c1 ZINC001234144999 1128098705 /nfs/dbraw/zinc/09/87/05/1128098705.db2.gz ZCEUVSWGIARQOZ-QGZVFWFLSA-N -1 3 289.375 3.961 20 30 CHEDHM Cc1ccc(CC/N=C/c2cc(Cl)ccc2[O-])o1 ZINC000915115107 1128284639 /nfs/dbraw/zinc/28/46/39/1128284639.db2.gz XFBDRZFNRSCKBI-CXUHLZMHSA-N -1 3 263.724 3.609 20 30 CHEDHM CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000763098393 1128350972 /nfs/dbraw/zinc/35/09/72/1128350972.db2.gz WRNZHEABALTJND-AXIYWZQUSA-N -1 3 297.782 3.585 20 30 CHEDHM O=C(OCC#Cc1ccccc1)c1cc(Cl)c(Cl)[n-]1 ZINC000920121389 1128665565 /nfs/dbraw/zinc/66/55/65/1128665565.db2.gz PAEWAQJNYZWGLE-UHFFFAOYSA-N -1 3 294.137 3.530 20 30 CHEDHM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1O ZINC000728230172 1118051574 /nfs/dbraw/zinc/05/15/74/1118051574.db2.gz AVPUUTZPFAFFQV-DAXSKMNVSA-N -1 3 298.338 3.701 20 30 CHEDHM Cc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231988 1118052902 /nfs/dbraw/zinc/05/29/02/1118052902.db2.gz PLWZTDHHECVLIB-VURMDHGXSA-N -1 3 252.313 3.905 20 30 CHEDHM COc1ccccc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728232881 1118061701 /nfs/dbraw/zinc/06/17/01/1118061701.db2.gz XOZYPBXPEVMFQX-YFHOEESVSA-N -1 3 268.312 3.605 20 30 CHEDHM Cc1ccc(Nc2cc([O-])ccc2Cl)c(C#N)c1 ZINC001210569452 1118328941 /nfs/dbraw/zinc/32/89/41/1118328941.db2.gz LLDXNQDVLVUUEW-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM Cc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1O ZINC000255308530 1118602763 /nfs/dbraw/zinc/60/27/63/1118602763.db2.gz JGMIOEVNIWQHEC-UHFFFAOYSA-N -1 3 261.708 3.810 20 30 CHEDHM C=C(C)CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000183060553 1120129772 /nfs/dbraw/zinc/12/97/72/1120129772.db2.gz RGZYYUXKDIHTOY-UHFFFAOYSA-N -1 3 297.354 3.833 20 30 CHEDHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ccc(C#N)cc2)n1 ZINC000125556222 1120617837 /nfs/dbraw/zinc/61/78/37/1120617837.db2.gz MNLRIDIMEDVTTI-LLVKDONJSA-N -1 3 299.399 3.611 20 30 CHEDHM Cc1cc(Cl)nc(Nc2c(F)cc([O-])cc2F)c1C#N ZINC001175100871 1121164738 /nfs/dbraw/zinc/16/47/38/1121164738.db2.gz ZAPNBBKFQFFVEJ-UHFFFAOYSA-N -1 3 295.676 3.643 20 30 CHEDHM N#Cc1cc(F)c(Nc2cc([O-])cc(Cl)c2)c(F)c1 ZINC001176624334 1121663477 /nfs/dbraw/zinc/66/34/77/1121663477.db2.gz DPGDIXLIZYUBMZ-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1c(F)cc(Nc2cc([O-])cc(Cl)c2)cc1F ZINC001176625657 1121665503 /nfs/dbraw/zinc/66/55/03/1121665503.db2.gz FNMDVXLSTNKDFI-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC(=NN=c1ccc2ccccc2[nH]1)c1ccc(F)cc1[O-] ZINC000727777540 1121738601 /nfs/dbraw/zinc/73/86/01/1121738601.db2.gz RSBATJPJCPGTAO-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM Cc1nc(C#N)c([N-]c2c(F)ccc(Cl)c2F)o1 ZINC001250090107 1122190767 /nfs/dbraw/zinc/19/07/67/1122190767.db2.gz GJWJEMOIDRQQCM-UHFFFAOYSA-N -1 3 269.638 3.530 20 30 CHEDHM O=C(c1cccc(F)c1)N([O-])Cc1ccccc1Cl ZINC001184273481 1122263788 /nfs/dbraw/zinc/26/37/88/1122263788.db2.gz UIEBPLMEBHSQEU-UHFFFAOYSA-N -1 3 279.698 3.511 20 30 CHEDHM O=C(CC1CC(F)(F)C1)N([O-])CCCCc1ccccc1 ZINC001184293549 1122269514 /nfs/dbraw/zinc/26/95/14/1122269514.db2.gz YDDPWNNKTHBUQY-UHFFFAOYSA-N -1 3 297.345 3.663 20 30 CHEDHM CCCc1[nH]ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283878 1122269857 /nfs/dbraw/zinc/26/98/57/1122269857.db2.gz USJZFZVDHPNRTQ-UHFFFAOYSA-N -1 3 292.766 3.652 20 30 CHEDHM C=C(C)C(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000424738196 1122341094 /nfs/dbraw/zinc/34/10/94/1122341094.db2.gz OWMZGTZRLXMOBE-UHFFFAOYSA-N -1 3 253.729 3.586 20 30 CHEDHM CCCCc1ccc(NC(=O)[N-]c2oncc2C#N)cc1 ZINC001187722854 1122439994 /nfs/dbraw/zinc/43/99/94/1122439994.db2.gz VGGBRRSDCNQJHI-UHFFFAOYSA-N -1 3 284.319 3.533 20 30 CHEDHM CCCCc1ccc(NC(=O)[N-]c2oc(C)nc2C#N)cc1 ZINC001187721947 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CC(C)(C#N)Cc1cccc(-c2ccc(=O)[n-]c2F)c1 ZINC000854188948 1123474263 /nfs/dbraw/zinc/47/42/63/1123474263.db2.gz DSZSOHLXWJLRLM-UHFFFAOYSA-N -1 3 270.307 3.686 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(Cl)cc(Cl)c1 ZINC000855151368 1123507780 /nfs/dbraw/zinc/50/77/80/1123507780.db2.gz MRIGXTQZKZQGDP-UHFFFAOYSA-N -1 3 294.128 3.821 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000856034444 1123545351 /nfs/dbraw/zinc/54/53/51/1123545351.db2.gz NDPXPXCSGLYVMU-LBPRGKRZSA-N -1 3 281.783 3.533 20 30 CHEDHM C=CC[C@@H]1N(C(=O)c2ccc(C)cc2[O-])CCCC1(C)C ZINC000443868441 1123645902 /nfs/dbraw/zinc/64/59/02/1123645902.db2.gz NLHRCMOPWUFORC-INIZCTEOSA-N -1 3 287.403 3.908 20 30 CHEDHM Cc1ccc(C)c(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794478921 1123840328 /nfs/dbraw/zinc/84/03/28/1123840328.db2.gz ARFBVCKHOXURQD-UHFFFAOYSA-N -1 3 276.286 3.733 20 30 CHEDHM C[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCS1 ZINC000121018501 1124055006 /nfs/dbraw/zinc/05/50/06/1124055006.db2.gz ZVHROKDMIKCPFN-LIOBOASVSA-N -1 3 269.797 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1134123891 /nfs/dbraw/zinc/12/38/91/1134123891.db2.gz PWZSKFXFHCNUMP-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM COc1cccc(Nc2cc([O-])ccc2Cl)c1C#N ZINC001210125185 1134152766 /nfs/dbraw/zinc/15/27/66/1134152766.db2.gz ZEALPSIOUVJQDG-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM Cc1cc(C#N)c(Nc2cccc(F)c2[O-])cc1F ZINC001210205060 1134166275 /nfs/dbraw/zinc/16/62/75/1134166275.db2.gz YOJZFQIBBNDWSI-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM C#Cc1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210222686 1134169968 /nfs/dbraw/zinc/16/99/68/1134169968.db2.gz TYKADLWIOFMXQB-UHFFFAOYSA-N -1 3 261.683 3.910 20 30 CHEDHM Cc1ccc(C#N)cc1Nc1c([O-])cccc1Cl ZINC001210501833 1134231624 /nfs/dbraw/zinc/23/16/24/1134231624.db2.gz WFELRMSBVFLPQF-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM N#Cc1ccccc1Nc1cc(-c2ccccc2[O-])no1 ZINC001210739328 1134287410 /nfs/dbraw/zinc/28/74/10/1134287410.db2.gz KMYDGBCMHQFLAO-UHFFFAOYSA-N -1 3 277.283 3.662 20 30 CHEDHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1C#N ZINC001210806378 1134299530 /nfs/dbraw/zinc/29/95/30/1134299530.db2.gz ZNQAXMHFVDRNLH-UHFFFAOYSA-N -1 3 290.326 3.502 20 30 CHEDHM N#Cc1cccc(N)c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210826476 1134306233 /nfs/dbraw/zinc/30/62/33/1134306233.db2.gz BGDTTZDWXUYCLD-UHFFFAOYSA-N -1 3 293.248 3.608 20 30 CHEDHM Cc1ccnc(C#N)c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210823494 1134306481 /nfs/dbraw/zinc/30/64/81/1134306481.db2.gz AFDIMZVVJNRSPE-UHFFFAOYSA-N -1 3 293.248 3.730 20 30 CHEDHM Cc1cc2cc(Nc3cc(C#N)ccc3[O-])ccc2[nH]1 ZINC001213794621 1134484441 /nfs/dbraw/zinc/48/44/41/1134484441.db2.gz TZYUYKHKSWXEGX-UHFFFAOYSA-N -1 3 263.300 3.797 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc(F)c2Cl)c1 ZINC001215952251 1134729228 /nfs/dbraw/zinc/72/92/28/1134729228.db2.gz MHSFECMJMSEFFS-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM Cc1ccc(Nc2cnc3cccc([O-])c3c2)cc1C#N ZINC001216074426 1134767002 /nfs/dbraw/zinc/76/70/02/1134767002.db2.gz HAMSPLQUVGPUDV-UHFFFAOYSA-N -1 3 275.311 3.864 20 30 CHEDHM Cc1cc(Nc2ncc(C#N)cc2Cl)cc([O-])c1F ZINC001216077204 1134767952 /nfs/dbraw/zinc/76/79/52/1134767952.db2.gz BIMISBKJUMVRDG-UHFFFAOYSA-N -1 3 277.686 3.503 20 30 CHEDHM Cc1cc(Nc2cc(F)cc(C#N)c2)cc([O-])c1F ZINC001216081000 1134770140 /nfs/dbraw/zinc/77/01/40/1134770140.db2.gz RSYMLXOKZYIBLU-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1c(C#N)cccc1Nc1cc([O-])c(F)cc1F ZINC001216177568 1134796571 /nfs/dbraw/zinc/79/65/71/1134796571.db2.gz POHJEJQMGPHWHM-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1c(F)ccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001216344791 1134863866 /nfs/dbraw/zinc/86/38/66/1134863866.db2.gz SPSLETREKQQINB-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM [O-]/N=C(\O[C@H]1CCc2cc(Cl)ccc21)c1ccccn1 ZINC001223976658 1135404757 /nfs/dbraw/zinc/40/47/57/1135404757.db2.gz XEKJQWKEMUNEHK-JZYMCLRRSA-N -1 3 288.734 3.575 20 30 CHEDHM C=C[C@@H](Oc1ccc2c([O-])coc2c1)c1ccccc1 ZINC001225340354 1135547712 /nfs/dbraw/zinc/54/77/12/1135547712.db2.gz JVUAEQOFIZMEGU-MRXNPFEDSA-N -1 3 266.296 3.568 20 30 CHEDHM CC(=O)c1ccc([O-])c(O[C@@H](CC#N)c2ccccc2)c1 ZINC001225996869 1135649414 /nfs/dbraw/zinc/64/94/14/1135649414.db2.gz YWGHJGVFHLVOMW-INIZCTEOSA-N -1 3 281.311 3.629 20 30 CHEDHM [O-]/N=C/c1cccc(O[C@H]2CC[C@H](C(F)(F)F)CC2)c1 ZINC001226114881 1135663849 /nfs/dbraw/zinc/66/38/49/1135663849.db2.gz SUOFAYCWLDSAQF-BJPIHCNQSA-N -1 3 287.281 3.995 20 30 CHEDHM C=CCC[C@@H](CC)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226118382 1135665374 /nfs/dbraw/zinc/66/53/74/1135665374.db2.gz FAUXWWJCHJMTMQ-LLVKDONJSA-N -1 3 264.394 3.766 20 30 CHEDHM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc2ccccc2c1 ZINC001226254141 1135677808 /nfs/dbraw/zinc/67/78/08/1135677808.db2.gz SBTQNRDADPSNOG-MKFNJMOCSA-N -1 3 293.326 3.578 20 30 CHEDHM C=C[C@@H](CCCCC)Oc1c([O-])ccc(C(C)=O)c1O ZINC001226478780 1135701150 /nfs/dbraw/zinc/70/11/50/1135701150.db2.gz IMCXPTDGOOODMM-LBPRGKRZSA-N -1 3 278.348 3.814 20 30 CHEDHM N#Cc1ccc([O-])c(OC2CCC(C(F)(F)F)CC2)c1 ZINC001227346140 1135823550 /nfs/dbraw/zinc/82/35/50/1135823550.db2.gz RXUDBGXPCZBFLH-UHFFFAOYSA-N -1 3 285.265 3.764 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001227350455 1135824503 /nfs/dbraw/zinc/82/45/03/1135824503.db2.gz NEDLOJLPTVUFRG-OAHLLOKOSA-N -1 3 285.730 3.984 20 30 CHEDHM CCC[C@H](C#Cc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227351822 1135825319 /nfs/dbraw/zinc/82/53/19/1135825319.db2.gz YTPAEOHMBRKVQF-QGZVFWFLSA-N -1 3 291.350 3.863 20 30 CHEDHM N#Cc1ccc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)o1 ZINC000336432858 227007976 /nfs/dbraw/zinc/00/79/76/227007976.db2.gz CQNPZYCKTKURRA-UHFFFAOYSA-N -1 3 299.088 3.849 20 30 CHEDHM N#CCN(Cc1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000356143360 228138228 /nfs/dbraw/zinc/13/82/28/228138228.db2.gz YEZYUXDTCRYMJF-UHFFFAOYSA-N -1 3 298.308 3.679 20 30 CHEDHM N#CCCC[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000352219797 228200704 /nfs/dbraw/zinc/20/07/04/228200704.db2.gz SSHGXQVPYNXQQV-QGZVFWFLSA-N -1 3 294.354 3.557 20 30 CHEDHM C=CC[C@@H]1N(C(=O)c2ccc([O-])c(C)c2)CCCC1(C)C ZINC000444639614 261055422 /nfs/dbraw/zinc/05/54/22/261055422.db2.gz ZJPHCRLIDANKRJ-INIZCTEOSA-N -1 3 287.403 3.908 20 30 CHEDHM C=CCCCN(C)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000163861192 263260451 /nfs/dbraw/zinc/26/04/51/263260451.db2.gz OXPHOMTXWXUZEO-UHFFFAOYSA-N -1 3 298.386 3.595 20 30 CHEDHM Cc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)n1 ZINC000330389968 263926230 /nfs/dbraw/zinc/92/62/30/263926230.db2.gz FCEOTTOLLLIKHA-UHFFFAOYSA-N -1 3 299.374 3.733 20 30 CHEDHM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000331245737 264178638 /nfs/dbraw/zinc/17/86/38/264178638.db2.gz UDHOPCGHVGUTAC-TZMCWYRMSA-N -1 3 291.391 3.635 20 30 CHEDHM C=CC1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000520594427 265863357 /nfs/dbraw/zinc/86/33/57/265863357.db2.gz KSCAGBUZDBKSNH-CQSZACIVSA-N -1 3 297.757 3.503 20 30 CHEDHM CC[C@@H](CC#N)NCc1cc(-c2ccccc2)ccc1[O-] ZINC000273886459 328207234 /nfs/dbraw/zinc/20/72/34/328207234.db2.gz SHKSJWPMBIECQC-KRWDZBQOSA-N -1 3 280.371 3.841 20 30 CHEDHM C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc(C)c1[O-])OCC ZINC000533782538 326931617 /nfs/dbraw/zinc/93/16/17/326931617.db2.gz QHTMRXUWKCGWPA-CYBMUJFWSA-N -1 3 297.782 3.664 20 30 CHEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(C#N)c(C)c2)n1 ZINC000565774637 327009325 /nfs/dbraw/zinc/00/93/25/327009325.db2.gz IRTXIGNYUQYJGX-NSHDSACASA-N -1 3 285.372 3.524 20 30 CHEDHM C[C@H]1CCc2sc(C([O-])=C(C#N)c3ccccn3)cc2C1 ZINC000046706063 329611753 /nfs/dbraw/zinc/61/17/53/329611753.db2.gz VWFCHVWVZXVWBY-WCQYABFASA-N -1 3 296.395 3.758 20 30 CHEDHM C=CCCC[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000537073233 330396715 /nfs/dbraw/zinc/39/67/15/330396715.db2.gz PCZUDSVYLDCHMK-LLVKDONJSA-N -1 3 274.393 3.704 20 30 CHEDHM C=CC[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436826205 330686154 /nfs/dbraw/zinc/68/61/54/330686154.db2.gz JJVXDCAJPSYWRZ-AWEZNQCLSA-N -1 3 295.382 3.677 20 30 CHEDHM C=CCC1(CNC(=O)c2cc([O-])ccc2Cl)CCCC1 ZINC000456505630 331194565 /nfs/dbraw/zinc/19/45/65/331194565.db2.gz LSUQBYQNQMFLMO-UHFFFAOYSA-N -1 3 293.794 3.912 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000468007348 331426612 /nfs/dbraw/zinc/42/66/12/331426612.db2.gz XFISKNAIYPYJJB-SECBINFHSA-N -1 3 287.281 3.952 20 30 CHEDHM C=C[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000513295511 333012939 /nfs/dbraw/zinc/01/29/39/333012939.db2.gz HXBVQIWXUDOLON-GFCCVEGCSA-N -1 3 251.757 3.586 20 30 CHEDHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc(C#N)cc1 ZINC000328282763 333507214 /nfs/dbraw/zinc/50/72/14/333507214.db2.gz ZEMAZPAROWJSBE-NSHDSACASA-N -1 3 286.762 3.768 20 30 CHEDHM CCSc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000350916522 529243301 /nfs/dbraw/zinc/24/33/01/529243301.db2.gz DRLIWYQPZTYZJD-CQSZACIVSA-N -1 3 282.368 3.684 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1ccccc1CC(=O)[O-] ZINC000833376143 605061807 /nfs/dbraw/zinc/06/18/07/605061807.db2.gz OLPZJYWPOGIHIP-UHFFFAOYSA-N -1 3 295.382 3.502 20 30 CHEDHM CCCCCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000116029068 958458662 /nfs/dbraw/zinc/45/86/62/958458662.db2.gz DTJRSLOCUJEMIZ-INIZCTEOSA-N -1 3 275.392 3.641 20 30 CHEDHM C=CCCCC[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901913608 980624985 /nfs/dbraw/zinc/62/49/85/980624985.db2.gz ZVFUCBBGPUYJRT-MNOVXSKESA-N -1 3 282.409 3.627 20 30 CHEDHM C[C@@H]1CCc2c(C([O-])=C(C#N)c3ccccn3)csc2C1 ZINC000072590940 1125635440 /nfs/dbraw/zinc/63/54/40/1125635440.db2.gz DNDKCPUJRVPEPP-DGCLKSJQSA-N -1 3 296.395 3.758 20 30 CHEDHM CCCCCCN([O-])C(=O)CCc1nc2ccccc2o1 ZINC000904205579 1126838527 /nfs/dbraw/zinc/83/85/27/1126838527.db2.gz NKJHCPJFAUIGNR-UHFFFAOYSA-N -1 3 290.363 3.559 20 30 CHEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1F ZINC001234139685 1128098633 /nfs/dbraw/zinc/09/86/33/1128098633.db2.gz JQPBOBUSXFPGML-JTQLQIEISA-N -1 3 257.264 3.543 20 30 CHEDHM COc1cc(F)ccc1NN=C(C)c1cc(F)ccc1[O-] ZINC000761884481 1128251545 /nfs/dbraw/zinc/25/15/45/1128251545.db2.gz GXNDJXQTVLGUOW-UHFFFAOYSA-N -1 3 292.285 3.515 20 30 CHEDHM CC(=NN[C@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000920386018 1128679726 /nfs/dbraw/zinc/67/97/26/1128679726.db2.gz NRWGZVLVTSYKAU-LLVKDONJSA-N -1 3 272.323 3.606 20 30 CHEDHM C[C@H](NN=Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000920386179 1128680103 /nfs/dbraw/zinc/68/01/03/1128680103.db2.gz STPULJYNXZMZTM-NSHDSACASA-N -1 3 274.751 3.730 20 30 CHEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccsc2Cl)c(F)c1 ZINC000186936127 1117812878 /nfs/dbraw/zinc/81/28/78/1117812878.db2.gz IMKRHLDXJSFJKH-UHFFFAOYSA-N -1 3 298.701 3.804 20 30 CHEDHM Cc1ccsc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728230241 1118050937 /nfs/dbraw/zinc/05/09/37/1118050937.db2.gz CCUHHQLITQQUQB-AATRIKPKSA-N -1 3 258.342 3.967 20 30 CHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1C ZINC000728230203 1118051849 /nfs/dbraw/zinc/05/18/49/1118051849.db2.gz BJIDCCASKPHGDO-QPJJXVBHSA-N -1 3 282.339 3.914 20 30 CHEDHM CCC(=NNc1ccccc1)c1ccc([O-])c(F)c1 ZINC000764638964 1118103912 /nfs/dbraw/zinc/10/39/12/1118103912.db2.gz CDFBKJYHFGCXOK-UHFFFAOYSA-N -1 3 258.296 3.758 20 30 CHEDHM CCC(=NNc1cccc(OC)c1)c1ccc([O-])c(F)c1 ZINC000764669242 1118105694 /nfs/dbraw/zinc/10/56/94/1118105694.db2.gz KIHXKMYXGZYUON-UHFFFAOYSA-N -1 3 288.322 3.766 20 30 CHEDHM C=CCCC[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000398257260 1118107617 /nfs/dbraw/zinc/10/76/17/1118107617.db2.gz QVZUXWDLELLYHR-JTQLQIEISA-N -1 3 267.756 3.520 20 30 CHEDHM C[C@H](CCc1cccn1C)/N=C\c1cc(Cl)ccc1[O-] ZINC000741845870 1118132142 /nfs/dbraw/zinc/13/21/42/1118132142.db2.gz YLZQYVDGZOUZOB-OTWJJXBCSA-N -1 3 290.794 3.824 20 30 CHEDHM O=[N+]([O-])c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000255066909 1118174055 /nfs/dbraw/zinc/17/40/55/1118174055.db2.gz NWSOEWKYPRIWGD-UHFFFAOYSA-N -1 3 294.669 3.844 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](SCc1ccccc1)C(C)C ZINC001649061278 1118294488 /nfs/dbraw/zinc/29/44/88/1118294488.db2.gz JUACJJJTRUJTLW-OAHLLOKOSA-N -1 3 295.448 3.962 20 30 CHEDHM O=C([C@@H]1CC12CCC2)N([O-])Cc1cccc2ccccc21 ZINC001649069648 1118311771 /nfs/dbraw/zinc/31/17/71/1118311771.db2.gz GEPZAXDNKLSNOW-INIZCTEOSA-N -1 3 281.355 3.748 20 30 CHEDHM Cc1oncc1[N-]c1oc(-c2ccccc2)cc1C#N ZINC001210583308 1118337001 /nfs/dbraw/zinc/33/70/01/1118337001.db2.gz FOLWDXNEIHEWCV-UHFFFAOYSA-N -1 3 265.272 3.858 20 30 CHEDHM Cc1cnc(C#N)c(Nc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC001210822550 1118403892 /nfs/dbraw/zinc/40/38/92/1118403892.db2.gz JZZOPHPNXQSAFY-UHFFFAOYSA-N -1 3 293.248 3.730 20 30 CHEDHM [O-]c1ccc(Cl)cc1C=Nc1cccc2c1OCCO2 ZINC000255305669 1118594331 /nfs/dbraw/zinc/59/43/31/1118594331.db2.gz APZANXGLBZPONV-UHFFFAOYSA-N -1 3 289.718 3.567 20 30 CHEDHM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1ccccn1 ZINC000041493527 1118946733 /nfs/dbraw/zinc/94/67/33/1118946733.db2.gz LQUNWIRVKFNCAE-ZDUSSCGKSA-N -1 3 296.395 3.902 20 30 CHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000617042943 1128813127 /nfs/dbraw/zinc/81/31/27/1128813127.db2.gz XKBAXUAUHQIFAL-NHYWBVRUSA-N -1 3 293.794 3.910 20 30 CHEDHM C=CCC1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000583303654 1119338195 /nfs/dbraw/zinc/33/81/95/1119338195.db2.gz TYWNCBMPNYNQOR-UHFFFAOYSA-N -1 3 263.312 3.606 20 30 CHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371325 1119698602 /nfs/dbraw/zinc/69/86/02/1119698602.db2.gz OKFBOFZDFBPSIX-ZDUSSCGKSA-N -1 3 298.367 3.519 20 30 CHEDHM C=CC[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000628489737 1128867400 /nfs/dbraw/zinc/86/74/00/1128867400.db2.gz FUQUQHZHRHMYAX-ZDUSSCGKSA-N -1 3 273.376 3.554 20 30 CHEDHM Cc1ccc(N(CCC#N)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000179484297 1119740358 /nfs/dbraw/zinc/74/03/58/1119740358.db2.gz NLWSJYJCMSWSIG-UHFFFAOYSA-N -1 3 294.354 3.570 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2cccc(Cl)c2Cl)c1O ZINC000255842814 1119756580 /nfs/dbraw/zinc/75/65/80/1119756580.db2.gz IPAXOHNOVYMSCT-UHFFFAOYSA-N -1 3 298.125 3.861 20 30 CHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000417622896 1120464842 /nfs/dbraw/zinc/46/48/42/1120464842.db2.gz HWBUJFKPNNYLCU-LLVKDONJSA-N -1 3 288.174 3.502 20 30 CHEDHM C=CCN(Cc1cc([O-])cc(F)c1)Cc1ccccc1F ZINC000473142783 1120810915 /nfs/dbraw/zinc/81/09/15/1120810915.db2.gz UHBHUWBSAKHHEN-UHFFFAOYSA-N -1 3 289.325 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CC[C@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1F ZINC001234144088 1130611237 /nfs/dbraw/zinc/61/12/37/1130611237.db2.gz IWMBDMCITXGNMS-INIZCTEOSA-N -1 3 271.291 3.933 20 30 CHEDHM COc1ccc([C@@H](C)Oc2cc([O-])cc(C#N)c2)c(F)c1 ZINC001234143696 1130611304 /nfs/dbraw/zinc/61/13/04/1130611304.db2.gz GJOMTVMMMKXUTR-SNVBAGLBSA-N -1 3 287.290 3.552 20 30 CHEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cc([O-])cc(C#N)c2)O1 ZINC001234144528 1130612002 /nfs/dbraw/zinc/61/20/02/1130612002.db2.gz PLTFCNLVOUWBPI-NVXWUHKLSA-N -1 3 287.359 3.545 20 30 CHEDHM C#C[C@H](Oc1c(Cl)ccc([O-])c1F)c1ccccc1 ZINC001234266205 1130626511 /nfs/dbraw/zinc/62/65/11/1130626511.db2.gz ZVBNJTAREXNIHN-ZDUSSCGKSA-N -1 3 276.694 3.938 20 30 CHEDHM COc1cc(F)cc(NN=C(C)c2ccc([O-])cc2F)c1 ZINC000759212470 1130645158 /nfs/dbraw/zinc/64/51/58/1130645158.db2.gz GIOUZFZUQAMAAN-UHFFFAOYSA-N -1 3 292.285 3.515 20 30 CHEDHM C=CCC[C@@H](CC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693374 1130673408 /nfs/dbraw/zinc/67/34/08/1130673408.db2.gz 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C=C[C@@H](CCC)Oc1cc(O)cc([O-])c1Br ZINC001229097301 1132017220 /nfs/dbraw/zinc/01/72/20/1132017220.db2.gz RWXWBVMKWZBIJC-VIFPVBQESA-N -1 3 287.153 3.594 20 30 CHEDHM C=CCC(CC=C)Oc1nc(=S)[n-]c2sccc21 ZINC001229569563 1132088973 /nfs/dbraw/zinc/08/89/73/1132088973.db2.gz LKXWNGQEVSKKDL-UHFFFAOYSA-N -1 3 278.402 3.880 20 30 CHEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccccc1-c1nnn[n-]1 ZINC001229950922 1132135082 /nfs/dbraw/zinc/13/50/82/1132135082.db2.gz ONAJBEASYWEFNC-DVOMOZLQSA-N -1 3 298.390 3.626 20 30 CHEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccccc1-c1nn[n-]n1 ZINC001229950922 1132135087 /nfs/dbraw/zinc/13/50/87/1132135087.db2.gz ONAJBEASYWEFNC-DVOMOZLQSA-N -1 3 298.390 3.626 20 30 CHEDHM C=C[C@H](CCCCCC)Oc1ccccc1-c1nnn[n-]1 ZINC001229952101 1132135436 /nfs/dbraw/zinc/13/54/36/1132135436.db2.gz YAAISESAHPGVNY-CYBMUJFWSA-N -1 3 286.379 3.771 20 30 CHEDHM C=C[C@H](CCCCCC)Oc1ccccc1-c1nn[n-]n1 ZINC001229952101 1132135442 /nfs/dbraw/zinc/13/54/42/1132135442.db2.gz YAAISESAHPGVNY-CYBMUJFWSA-N -1 3 286.379 3.771 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231072734 1132252084 /nfs/dbraw/zinc/25/20/84/1132252084.db2.gz GWYMYDYHAFSGOF-HOCLYGCPSA-N -1 3 296.374 3.547 20 30 CHEDHM CC[C@H](C)[C@@H](C/N=C\c1cc(Cl)ccc1[O-])OC ZINC000840705573 1132271595 /nfs/dbraw/zinc/27/15/95/1132271595.db2.gz FCEJBRIOBQBVLJ-SCDYTWBZSA-N -1 3 269.772 3.526 20 30 CHEDHM CCc1noc(C)c1C/N=C/c1cc(Cl)ccc1[O-] ZINC000840705017 1132271794 /nfs/dbraw/zinc/27/17/94/1132271794.db2.gz DMPDFVRULKHGIL-FRKPEAEDSA-N -1 3 278.739 3.524 20 30 CHEDHM N#C[C@H]1CCCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231523194 1132313237 /nfs/dbraw/zinc/31/32/37/1132313237.db2.gz QYEPIPIICMPHIZ-NSHDSACASA-N -1 3 298.308 3.537 20 30 CHEDHM N#Cc1cc(NC(=O)c2cccc3sccc32)ccc1[O-] ZINC001153437423 1132594017 /nfs/dbraw/zinc/59/40/17/1132594017.db2.gz NSNQYGDGECTBTG-UHFFFAOYSA-N -1 3 294.335 3.731 20 30 CHEDHM C=CCN(Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335197 1132603021 /nfs/dbraw/zinc/60/30/21/1132603021.db2.gz LELXWSAMCXEOQC-UHFFFAOYSA-N -1 3 289.325 3.859 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCCc2cccnc21 ZINC001233523235 1132631296 /nfs/dbraw/zinc/63/12/96/1132631296.db2.gz WFXPBHJFNQJAGF-QGZVFWFLSA-N -1 3 292.338 3.634 20 30 CHEDHM N#CC=C([O-])c1ccccc1O[C@H]1CCc2ccccc21 ZINC001233522187 1132631323 /nfs/dbraw/zinc/63/13/23/1132631323.db2.gz CYUGQWQQMJAKGT-SFHVURJKSA-N -1 3 277.323 3.849 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1SCCc2sccc21 ZINC001161826559 1133031957 /nfs/dbraw/zinc/03/19/57/1133031957.db2.gz FTNRZXQHFNKNCJ-ZDUSSCGKSA-N -1 3 299.461 3.877 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001161826979 1133032203 /nfs/dbraw/zinc/03/22/03/1133032203.db2.gz RIHRLDSERGOSKB-STQMWFEESA-N -1 3 297.345 3.866 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](CC)Oc1ccccc1F ZINC001161826969 1133032909 /nfs/dbraw/zinc/03/29/09/1133032909.db2.gz RDTFBIQSHLDDDJ-CQSZACIVSA-N -1 3 297.370 3.781 20 30 CHEDHM [O-]N=Cc1ccccc1-c1cc(F)cc(N2CCCC2)c1 ZINC001206134910 1133662303 /nfs/dbraw/zinc/66/23/03/1133662303.db2.gz VBQQYKNKNSVTGY-UHFFFAOYSA-N -1 3 284.334 3.901 20 30 CHEDHM N#Cc1c(Cl)cccc1Nc1ccc(F)cc1[O-] ZINC001210016808 1134123521 /nfs/dbraw/zinc/12/35/21/1134123521.db2.gz NGOVEOIUXBGKQL-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM COc1cccc(Nc2ccc([O-])c(Cl)c2)c1C#N ZINC001210123475 1134152375 /nfs/dbraw/zinc/15/23/75/1134152375.db2.gz MUQVXZLCNQUBED-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1cccc(F)c1[O-] ZINC001210196242 1134163875 /nfs/dbraw/zinc/16/38/75/1134163875.db2.gz XZTOUWIHRVQRIJ-UHFFFAOYSA-N -1 3 297.211 3.560 20 30 CHEDHM N#Cc1c(Cl)cccc1Nc1cccc(F)c1[O-] ZINC001210199778 1134165047 /nfs/dbraw/zinc/16/50/47/1134165047.db2.gz OHKHDRBFLNMMBF-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM Cc1cc(Cl)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001210463474 1134220696 /nfs/dbraw/zinc/22/06/96/1134220696.db2.gz CNBVIYWZRYALRK-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM N#Cc1cc(Cl)cc(Nc2ccc([O-])cc2C#N)c1 ZINC001210539653 1134242552 /nfs/dbraw/zinc/24/25/52/1134242552.db2.gz HRSIUDROPQVHPU-UHFFFAOYSA-N -1 3 269.691 3.533 20 30 CHEDHM Cc1cnc(Nc2cc([O-])cc(C(F)(F)F)c2)c(C#N)c1 ZINC001210824382 1134306311 /nfs/dbraw/zinc/30/63/11/1134306311.db2.gz RCVBXBZHYBWOFG-UHFFFAOYSA-N -1 3 293.248 3.730 20 30 CHEDHM CCOc1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001211051964 1134357640 /nfs/dbraw/zinc/35/76/40/1134357640.db2.gz GVVZIDVFEFEDHB-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM CC(C)(C)c1noc(Nc2cc(F)c([O-])c(F)c2)c1C#N ZINC001213374933 1134444369 /nfs/dbraw/zinc/44/43/69/1134444369.db2.gz GIJMCLNHVRVWAC-UHFFFAOYSA-N -1 3 293.273 3.571 20 30 CHEDHM Cc1cc(Cl)nc(Nc2cc(F)c([O-])c(F)c2)c1C#N ZINC001213377326 1134444816 /nfs/dbraw/zinc/44/48/16/1134444816.db2.gz JMDDDCJZYDPPCE-UHFFFAOYSA-N -1 3 295.676 3.643 20 30 CHEDHM Cc1ncc(C(F)(F)F)cc1Nc1cc(C#N)ccc1[O-] ZINC001213832996 1134489786 /nfs/dbraw/zinc/48/97/86/1134489786.db2.gz PZBNWQYOGVQYEG-UHFFFAOYSA-N -1 3 293.248 3.730 20 30 CHEDHM C#Cc1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214559351 1134551256 /nfs/dbraw/zinc/55/12/56/1134551256.db2.gz NCBLAVZQHGFPIH-UHFFFAOYSA-N -1 3 261.683 3.910 20 30 CHEDHM COc1c(F)cc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001214974051 1134590138 /nfs/dbraw/zinc/59/01/38/1134590138.db2.gz MFLHTFVXLHQCEO-UHFFFAOYSA-N -1 3 292.697 3.809 20 30 CHEDHM COc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1C#N ZINC001215002840 1134592859 /nfs/dbraw/zinc/59/28/59/1134592859.db2.gz UYVJWHXJBNILDA-UHFFFAOYSA-N -1 3 288.734 3.978 20 30 CHEDHM CNc1ccc(C#N)cc1Nc1c([O-])cccc1Cl ZINC001215986496 1134741777 /nfs/dbraw/zinc/74/17/77/1134741777.db2.gz AYIAGTFJMSNBIE-UHFFFAOYSA-N -1 3 273.723 3.703 20 30 CHEDHM Cc1cc(Nc2ccc(C#N)cc2C)cc([O-])c1F ZINC001216079153 1134769615 /nfs/dbraw/zinc/76/96/15/1134769615.db2.gz WJGPUZBVWLPLNW-UHFFFAOYSA-N -1 3 256.280 3.763 20 30 CHEDHM COc1cc(C#N)c(F)cc1Nc1cc(C)c(F)c([O-])c1 ZINC001216084146 1134771386 /nfs/dbraw/zinc/77/13/86/1134771386.db2.gz WOAIGCBCMJIHSQ-UHFFFAOYSA-N -1 3 290.269 3.603 20 30 CHEDHM Cc1cc(Nc2ccc(C#N)cc2C#N)cc(Cl)c1[O-] ZINC001216088749 1134773610 /nfs/dbraw/zinc/77/36/10/1134773610.db2.gz FCHWWEKWLOFETI-UHFFFAOYSA-N -1 3 283.718 3.841 20 30 CHEDHM [O-]/N=C/c1cccc(O[C@H]2CCCN(c3ccccc3)C2)c1 ZINC001226115068 1135664029 /nfs/dbraw/zinc/66/40/29/1135664029.db2.gz WBZTWEBHERFFAR-DYGKOUCMSA-N -1 3 296.370 3.543 20 30 CHEDHM Cc1cccc(OC[C@@H](C)Oc2cccc(/C=N/[O-])c2)c1 ZINC001226114877 1135664122 /nfs/dbraw/zinc/66/41/22/1135664122.db2.gz SLVIIJJTYWNTHI-XWAFYUISSA-N -1 3 285.343 3.649 20 30 CHEDHM C[C@H](Cc1ccccc1)Oc1cccc(/C=N/[O-])c1 ZINC001226114615 1135664375 /nfs/dbraw/zinc/66/43/75/1135664375.db2.gz NHFARPJRNMVMJA-LVLBFHFTSA-N -1 3 255.317 3.505 20 30 CHEDHM C=C[C@]1(C)CC[C@H](Oc2cccc(/C=N/[O-])c2)C(C)(C)O1 ZINC001226115063 1135664392 /nfs/dbraw/zinc/66/43/92/1135664392.db2.gz WBKKMTRLAXLLQA-HOKSHQMQSA-N -1 3 289.375 3.776 20 30 CHEDHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1C#N ZINC001226118439 1135665396 /nfs/dbraw/zinc/66/53/96/1135665396.db2.gz FSTYSIUQZPNDEN-JTQLQIEISA-N -1 3 297.383 3.654 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@H]2CCCc3ccccc32)c1 ZINC001227344856 1135823955 /nfs/dbraw/zinc/82/39/55/1135823955.db2.gz FUCIWGVXJIDLQH-INIZCTEOSA-N -1 3 265.312 3.720 20 30 CHEDHM CC[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227344599 1135824324 /nfs/dbraw/zinc/82/43/24/1135824324.db2.gz APDOMHNUZLLWEP-OAHLLOKOSA-N -1 3 253.301 3.794 20 30 CHEDHM CC[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1F ZINC001227351232 1135825469 /nfs/dbraw/zinc/82/54/69/1135825469.db2.gz SWQVPDHFVZJEBL-OAHLLOKOSA-N -1 3 271.291 3.933 20 30 CHEDHM CSc1nnc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)[n-]1 ZINC000329054842 227275483 /nfs/dbraw/zinc/27/54/83/227275483.db2.gz HVOAXNVTOKPBOW-OUAUKWLOSA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1n[n-]c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000329054842 227275487 /nfs/dbraw/zinc/27/54/87/227275487.db2.gz HVOAXNVTOKPBOW-OUAUKWLOSA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1nc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n[n-]1 ZINC000329054842 227275491 /nfs/dbraw/zinc/27/54/91/227275491.db2.gz HVOAXNVTOKPBOW-OUAUKWLOSA-N -1 3 294.424 3.721 20 30 CHEDHM CC(C)(C)c1ccc(NC(=O)[C@H]2C[C@@]23CCOC3)c([O-])c1 ZINC000328641771 263831190 /nfs/dbraw/zinc/83/11/90/263831190.db2.gz DKJHZUSNKJKSMV-SJKOYZFVSA-N -1 3 289.375 3.704 20 30 CHEDHM C=CC[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000188523519 264134766 /nfs/dbraw/zinc/13/47/66/264134766.db2.gz NVLGAPVQBBSTAV-AWEZNQCLSA-N -1 3 267.328 3.691 20 30 CHEDHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000331248087 264180396 /nfs/dbraw/zinc/18/03/96/264180396.db2.gz WRKKVEQKKQCCBE-ZIAGYGMSSA-N -1 3 291.391 3.599 20 30 CHEDHM N#CC[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000527002222 328820564 /nfs/dbraw/zinc/82/05/64/328820564.db2.gz CIDMDLAJZBPLGE-CYBMUJFWSA-N -1 3 298.317 3.557 20 30 CHEDHM N#Cc1ccsc1C(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000175868014 329170494 /nfs/dbraw/zinc/17/04/94/329170494.db2.gz YFFYRQJAASQSIR-UHFFFAOYSA-N -1 3 295.323 3.527 20 30 CHEDHM Cc1cccc([O-])c1NC(=O)c1cccc(SCC#N)c1 ZINC000183063114 329246877 /nfs/dbraw/zinc/24/68/77/329246877.db2.gz YYGCCGRTWUUWIO-UHFFFAOYSA-N -1 3 298.367 3.569 20 30 CHEDHM N#CCCCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419611389 329739996 /nfs/dbraw/zinc/73/99/96/329739996.db2.gz ZDPMVXDOAFRTKP-UHFFFAOYSA-N -1 3 299.399 3.776 20 30 CHEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc(C)c1[O-] ZINC000119713746 330378890 /nfs/dbraw/zinc/37/88/90/330378890.db2.gz URTRYYCOFYOUQF-UHFFFAOYSA-N -1 3 281.355 3.529 20 30 CHEDHM C=CCN(CCc1ccccc1)C(=O)c1cccc(C)c1[O-] ZINC000121360573 330400887 /nfs/dbraw/zinc/40/08/87/330400887.db2.gz SXYKSJBLDIUWJQ-UHFFFAOYSA-N -1 3 295.382 3.572 20 30 CHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC000436824336 330686150 /nfs/dbraw/zinc/68/61/50/330686150.db2.gz GPGTUVDUSQNWQP-UHFFFAOYSA-N -1 3 281.355 3.611 20 30 CHEDHM C=C(C)CN(CC)Cc1cccc([O-])c1Br ZINC000459302151 331275400 /nfs/dbraw/zinc/27/54/00/331275400.db2.gz RXKSDJJPMJYJFC-UHFFFAOYSA-N -1 3 284.197 3.553 20 30 CHEDHM C=C(C)CCc1noc(-c2cccc(CC)c2[O-])n1 ZINC000552041835 334280300 /nfs/dbraw/zinc/28/03/00/334280300.db2.gz SSQGFBNMPGOWNN-UHFFFAOYSA-N -1 3 258.321 3.513 20 30 CHEDHM C=C[C@H](CC(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000157611032 334777601 /nfs/dbraw/zinc/77/76/01/334777601.db2.gz DDDYPQLLVGOCLC-CYBMUJFWSA-N -1 3 267.328 3.691 20 30 CHEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(SC)o2)s1 ZINC000112238618 523747084 /nfs/dbraw/zinc/74/70/84/523747084.db2.gz PSIQOWALXCOSMY-UHFFFAOYSA-N -1 3 292.385 3.749 20 30 CHEDHM C=CC1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000520594425 605374579 /nfs/dbraw/zinc/37/45/79/605374579.db2.gz KSCAGBUZDBKSNH-AWEZNQCLSA-N -1 3 297.757 3.503 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001184314613 1122267075 /nfs/dbraw/zinc/26/70/75/1122267075.db2.gz BZSHGIKPTKSUOC-NSHDSACASA-N -1 3 261.321 3.554 20 30 CHEDHM N#Cc1cnoc1[N-]c1c(Cl)cc(F)cc1Cl ZINC001214475245 1134541767 /nfs/dbraw/zinc/54/17/67/1134541767.db2.gz OTAJXELQLOAZGG-UHFFFAOYSA-N -1 3 272.066 3.736 20 30 CHEDHM C=C[C@H](C#CC(C)(C)C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225994079 1135649004 /nfs/dbraw/zinc/64/90/04/1135649004.db2.gz KPWBVBGAWGURQT-CQSZACIVSA-N -1 3 272.344 3.578 20 30 CHEDHM CC(C)(C#N)CCCO[N-]C(=O)CCC1CCCCC1 ZINC000135499822 1125590898 /nfs/dbraw/zinc/59/08/98/1125590898.db2.gz NTQPPGRYCGZANY-UHFFFAOYSA-N -1 3 280.412 3.725 20 30 CHEDHM Cc1sc(Nc2ccc([O-])c(F)c2F)c(C#N)c1C ZINC001211999877 1125632272 /nfs/dbraw/zinc/63/22/72/1125632272.db2.gz AOTNLJBTVTWOMR-UHFFFAOYSA-N -1 3 280.299 3.964 20 30 CHEDHM C#CCC1(NC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000886656097 1125703393 /nfs/dbraw/zinc/70/33/93/1125703393.db2.gz QZTLKMNNEAGFIK-UHFFFAOYSA-N -1 3 291.778 3.502 20 30 CHEDHM O=C(C1CC(F)(F)C1)N([O-])Cc1cccc2ccccc21 ZINC000904171216 1126837432 /nfs/dbraw/zinc/83/74/32/1126837432.db2.gz KOMBRBLCIOUEOD-UHFFFAOYSA-N -1 3 291.297 3.603 20 30 CHEDHM CC(=NOC1CCCCC1)c1ccc([O-])cc1F ZINC000777458611 1126939246 /nfs/dbraw/zinc/93/92/46/1126939246.db2.gz HTUGHBUBCJVIGT-UHFFFAOYSA-N -1 3 251.301 3.605 20 30 CHEDHM CCC(CC)CN(CCC#N)Cc1cc([O-])cc(F)c1 ZINC000352010271 1127215742 /nfs/dbraw/zinc/21/57/42/1127215742.db2.gz AQCFACNHVFVLIX-UHFFFAOYSA-N -1 3 278.371 3.683 20 30 CHEDHM N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc([O-])c1Cl ZINC000590188376 1127250894 /nfs/dbraw/zinc/25/08/94/1127250894.db2.gz YQYIKEBAJNAPHD-OAHLLOKOSA-N -1 3 298.773 3.694 20 30 CHEDHM CC(=NNc1cc(C)ccc1C)c1cc(F)ccc1[O-] ZINC000916604745 1128428758 /nfs/dbraw/zinc/42/87/58/1128428758.db2.gz OJNURVRUALSBHO-UHFFFAOYSA-N -1 3 272.323 3.984 20 30 CHEDHM CC(C)[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369762 1128671128 /nfs/dbraw/zinc/67/11/28/1128671128.db2.gz HCVCSLTWCNOVIP-CYBMUJFWSA-N -1 3 271.360 3.850 20 30 CHEDHM O=C(c1cccc(C(F)F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901374106 1128675695 /nfs/dbraw/zinc/67/56/95/1128675695.db2.gz DMVAFVZWGNIISJ-UHFFFAOYSA-N -1 3 295.260 3.795 20 30 CHEDHM CC(=NN[C@@H](C)c1ccccc1)c1cc(F)ccc1[O-] ZINC000920386019 1128679999 /nfs/dbraw/zinc/67/99/99/1128679999.db2.gz NRWGZVLVTSYKAU-NSHDSACASA-N -1 3 272.323 3.606 20 30 CHEDHM CCCOCCOc1cccc(-c2ccc(C#N)cc2[O-])c1 ZINC000600779781 1128681109 /nfs/dbraw/zinc/68/11/09/1128681109.db2.gz ZTTWSBRMBYITSY-UHFFFAOYSA-N -1 3 297.354 3.736 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(C3CC3)c2)n1 ZINC000654968828 1117825156 /nfs/dbraw/zinc/82/51/56/1117825156.db2.gz NALOWVNNVGFHIN-AWEZNQCLSA-N -1 3 282.368 3.819 20 30 CHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000728231964 1118053141 /nfs/dbraw/zinc/05/31/41/1118053141.db2.gz OWAAPZSXQKKEGE-WEVVVXLNSA-N -1 3 298.338 3.614 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccccc2C)ccc1[O-] ZINC000728231956 1118053806 /nfs/dbraw/zinc/05/38/06/1118053806.db2.gz OSFQZGAAKHKKJU-YFHOEESVSA-N -1 3 252.313 3.905 20 30 CHEDHM C[C@H](CCc1cccn1C)/N=C/c1cc(Cl)ccc1[O-] ZINC000741845869 1118132075 /nfs/dbraw/zinc/13/20/75/1118132075.db2.gz YLZQYVDGZOUZOB-MBNTZHJCSA-N -1 3 290.794 3.824 20 30 CHEDHM COc1cc(Nc2cccc(Cl)c2[O-])ccc1C#N ZINC001210223398 1118210954 /nfs/dbraw/zinc/21/09/54/1118210954.db2.gz SRTAFRCEPMGBIB-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM Cc1ccccc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001649046093 1118266860 /nfs/dbraw/zinc/26/68/60/1118266860.db2.gz KXAQWYMOPBMFJF-UHFFFAOYSA-N -1 3 297.398 3.778 20 30 CHEDHM CC[C@H](CC(F)F)C(=O)N([O-])CCCCc1ccccc1 ZINC001649052234 1118274836 /nfs/dbraw/zinc/27/48/36/1118274836.db2.gz UYDQKZBGZFRZAK-CQSZACIVSA-N -1 3 299.361 3.909 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CSc2ccccc21 ZINC001649056945 1118284397 /nfs/dbraw/zinc/28/43/97/1118284397.db2.gz MIQLSXKIXIAXHG-CYBMUJFWSA-N -1 3 279.405 3.674 20 30 CHEDHM CCCCCCN([O-])C(=O)C(C)(C)c1cccc(F)c1 ZINC001649057478 1118284878 /nfs/dbraw/zinc/28/48/78/1118284878.db2.gz YYGPCXZMFOHCDI-UHFFFAOYSA-N -1 3 281.371 3.901 20 30 CHEDHM CCCCN([O-])C(=O)CC(C)(C)c1ccc(F)cc1 ZINC001649060776 1118292408 /nfs/dbraw/zinc/29/24/08/1118292408.db2.gz BMEDRFRWIUVRHA-UHFFFAOYSA-N -1 3 267.344 3.511 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](c1ccccc1)[C@@H](C)CC ZINC001649061112 1118293110 /nfs/dbraw/zinc/29/31/10/1118293110.db2.gz HHMFCWWJPMMPNK-ZFWWWQNUSA-N -1 3 263.381 3.834 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC001649061605 1118295565 /nfs/dbraw/zinc/29/55/65/1118295565.db2.gz SNFRDGPKGNTSDL-CQSZACIVSA-N -1 3 293.407 3.904 20 30 CHEDHM O=C([C@H]1CC12CCC2)N([O-])Cc1cccc2ccccc21 ZINC001649069649 1118311744 /nfs/dbraw/zinc/31/17/44/1118311744.db2.gz GEPZAXDNKLSNOW-MRXNPFEDSA-N -1 3 281.355 3.748 20 30 CHEDHM CC(=NNc1cccc(F)c1)c1ccc([O-])c(F)c1 ZINC000728429260 1118930778 /nfs/dbraw/zinc/93/07/78/1118930778.db2.gz BVGKGZANRQGXRH-UHFFFAOYSA-N -1 3 262.259 3.507 20 30 CHEDHM CC(=NNc1cccc(C)c1)c1ccc([O-])c(F)c1 ZINC000728427780 1118930869 /nfs/dbraw/zinc/93/08/69/1118930869.db2.gz VMHLAMSEYKDYEN-UHFFFAOYSA-N -1 3 258.296 3.676 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)c(Cl)c2)c1O ZINC000255497267 1119033863 /nfs/dbraw/zinc/03/38/63/1119033863.db2.gz DYXLLVXVCFJLGA-UHFFFAOYSA-N -1 3 298.125 3.861 20 30 CHEDHM N#CC(=C([O-])c1ccoc1C1CC1)c1nc2ccccc2[nH]1 ZINC000342629335 1119105490 /nfs/dbraw/zinc/10/54/90/1119105490.db2.gz DZIGEMZBNZQBAL-GFCCVEGCSA-N -1 3 291.310 3.523 20 30 CHEDHM CC(C)Oc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1 ZINC001212315325 1128839876 /nfs/dbraw/zinc/83/98/76/1128839876.db2.gz DTSARUUELSKTCR-UHFFFAOYSA-N -1 3 286.306 3.934 20 30 CHEDHM C=C(C)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000183055442 1120129796 /nfs/dbraw/zinc/12/97/96/1120129796.db2.gz DEMGDNSSCRIXJB-UHFFFAOYSA-N -1 3 295.382 3.631 20 30 CHEDHM C=C[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000356063468 1120293209 /nfs/dbraw/zinc/29/32/09/1120293209.db2.gz VAHFMCGYFLGJON-HNNXBMFYSA-N -1 3 281.355 3.726 20 30 CHEDHM N#Cc1cc(F)c(F)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212489632 1120376900 /nfs/dbraw/zinc/37/69/00/1120376900.db2.gz VWHHLITWDXQHAE-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1c(F)cc(F)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212491707 1120379977 /nfs/dbraw/zinc/37/99/77/1120379977.db2.gz XWGWXPJECYMNND-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc3cccnc32)c1 ZINC001174859444 1121068898 /nfs/dbraw/zinc/06/88/98/1121068898.db2.gz FUPPNMRQAAXLRT-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM CC(C)(C)n1cc(C#N)cc1Nc1c(F)cc([O-])cc1F ZINC001175094426 1121182847 /nfs/dbraw/zinc/18/28/47/1121182847.db2.gz DFDPGHVANRSBLA-UHFFFAOYSA-N -1 3 291.301 3.842 20 30 CHEDHM N#Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1Cl ZINC001175269001 1121268835 /nfs/dbraw/zinc/26/88/35/1121268835.db2.gz VYCRWOSUHXFWDA-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1c(F)ccc(Nc2c(F)ccc([O-])c2F)c1F ZINC001175268365 1121268887 /nfs/dbraw/zinc/26/88/87/1121268887.db2.gz LETJWHISPZANMH-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1cc(F)c(Nc2cccc([O-])c2F)c(Cl)c1 ZINC001212552373 1121288523 /nfs/dbraw/zinc/28/85/23/1121288523.db2.gz ONBIRWVKVAMHAL-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM C=CCn1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001176546725 1121651197 /nfs/dbraw/zinc/65/11/97/1121651197.db2.gz ZHDWBHBJZTWGNQ-UHFFFAOYSA-N -1 3 284.146 3.825 20 30 CHEDHM N#Cc1ccc(Nc2cc([O-])cc(Cl)c2)cc1F ZINC001176624338 1121663495 /nfs/dbraw/zinc/66/34/95/1121663495.db2.gz DSHURAJKKSAHRA-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1cc(F)c(F)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176624759 1121663934 /nfs/dbraw/zinc/66/39/34/1121663934.db2.gz OXWZFDLTLGDPOW-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1ncc(Cl)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176625229 1121664457 /nfs/dbraw/zinc/66/44/57/1121664457.db2.gz JBIYSFUILKXZCN-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM N#Cc1c(F)cccc1Nc1cc([O-])cc(Cl)c1 ZINC001176625256 1121664512 /nfs/dbraw/zinc/66/45/12/1121664512.db2.gz KPTHMURXLZMPPP-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM C=CCCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000525926890 1121723729 /nfs/dbraw/zinc/72/37/29/1121723729.db2.gz JAJQVFQTGQYFCH-UHFFFAOYSA-N -1 3 269.344 3.632 20 30 CHEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc([O-])cc1F ZINC000729932497 1121785151 /nfs/dbraw/zinc/78/51/51/1121785151.db2.gz CHKIYHSXUPYDQE-LLVKDONJSA-N -1 3 272.323 3.606 20 30 CHEDHM C#CCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000730952141 1121838459 /nfs/dbraw/zinc/83/84/59/1121838459.db2.gz SRGZQOOKXWAWEN-UHFFFAOYSA-N -1 3 285.730 3.808 20 30 CHEDHM CCCCCCC[C@@H](C)C(=O)Nc1cncc([O-])c1 ZINC001181112476 1122034799 /nfs/dbraw/zinc/03/47/99/1122034799.db2.gz QANYEXGFXXTKPP-GFCCVEGCSA-N -1 3 264.369 3.722 20 30 CHEDHM CCCCCCN([O-])C(=O)C1(c2ccccc2)CCC1 ZINC001184305349 1122266989 /nfs/dbraw/zinc/26/69/89/1122266989.db2.gz HNHQXFLZROUAQV-UHFFFAOYSA-N -1 3 275.392 3.906 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H](SC)c1ccccc1 ZINC001184305906 1122267114 /nfs/dbraw/zinc/26/71/14/1122267114.db2.gz WJKROUVZWSLECN-AWEZNQCLSA-N -1 3 281.421 3.889 20 30 CHEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001184293266 1122269120 /nfs/dbraw/zinc/26/91/20/1122269120.db2.gz MAHYJQXKQGRYKS-FMKGYKFTSA-N -1 3 293.794 3.740 20 30 CHEDHM C=C(C)C(C)(C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293558 1122269828 /nfs/dbraw/zinc/26/98/28/1122269828.db2.gz YHFSWEABKQSKBM-UHFFFAOYSA-N -1 3 275.392 3.829 20 30 CHEDHM CCc1occc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283940 1122269900 /nfs/dbraw/zinc/26/99/00/1122269900.db2.gz VFQJHVMDFMTHLJ-UHFFFAOYSA-N -1 3 279.723 3.527 20 30 CHEDHM O=C(c1cc(F)ccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC001184348106 1122272793 /nfs/dbraw/zinc/27/27/93/1122272793.db2.gz JZFCMXXLZAVBPF-UHFFFAOYSA-N -1 3 297.688 3.650 20 30 CHEDHM CC1(C)CCCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184349171 1122273134 /nfs/dbraw/zinc/27/31/34/1122273134.db2.gz XQKBUZWVIVGQFK-CQSZACIVSA-N -1 3 279.355 3.760 20 30 CHEDHM C=C(C)C(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000424746267 1122338200 /nfs/dbraw/zinc/33/82/00/1122338200.db2.gz DSBWQRMIGZUFQF-UHFFFAOYSA-N -1 3 298.180 3.696 20 30 CHEDHM Cc1cc(CC(=O)c2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC001250208895 1122356704 /nfs/dbraw/zinc/35/67/04/1122356704.db2.gz PPPMOIGJLUFMSB-UHFFFAOYSA-N -1 3 285.730 3.651 20 30 CHEDHM CCCCc1ccc(NC(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001187721083 1122439999 /nfs/dbraw/zinc/43/99/99/1122439999.db2.gz NQGBULQLGTVCCF-UHFFFAOYSA-N -1 3 298.346 3.841 20 30 CHEDHM C=CC[C@@H]1N(C(=O)c2ccccc2[O-])CCCC1(C)C ZINC000436815583 1122584086 /nfs/dbraw/zinc/58/40/86/1122584086.db2.gz LQQUALQXHJQUCB-HNNXBMFYSA-N -1 3 273.376 3.599 20 30 CHEDHM N#Cc1ccc([O-])c(NC2=CC[C@H](C(F)(F)F)CC2)c1 ZINC001197295324 1122950310 /nfs/dbraw/zinc/95/03/10/1122950310.db2.gz MTVDLHKAQOPFJZ-JTQLQIEISA-N -1 3 282.265 3.922 20 30 CHEDHM CCc1ccccc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001201148374 1123075134 /nfs/dbraw/zinc/07/51/34/1123075134.db2.gz CZHSLKWWHILTNC-UHFFFAOYSA-N -1 3 297.383 3.635 20 30 CHEDHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCOCC1 ZINC000330548974 1123119563 /nfs/dbraw/zinc/11/95/63/1123119563.db2.gz WIHGCFTXWUTHBM-AWEZNQCLSA-N -1 3 297.782 3.555 20 30 CHEDHM Cc1cccc(C)c1NC(=O)Nc1ccc([O-])cc1C#N ZINC001202209216 1123187899 /nfs/dbraw/zinc/18/78/99/1123187899.db2.gz GEUUDDZSXVFNOJ-UHFFFAOYSA-N -1 3 281.315 3.525 20 30 CHEDHM CCN(Cc1c2c(ccc1[O-])oc1c2CCCC1)[C@H](C)C#N ZINC000853577037 1123443959 /nfs/dbraw/zinc/44/39/59/1123443959.db2.gz BDOLWEVTTQJJCG-GFCCVEGCSA-N -1 3 298.386 3.751 20 30 CHEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000329831940 1123655895 /nfs/dbraw/zinc/65/58/95/1123655895.db2.gz TUVBYVUVUBAVQI-UHFFFAOYSA-N -1 3 287.319 3.671 20 30 CHEDHM C[C@H](Nc1cc(C2CC2)ccn1)c1cccc(C#N)c1[O-] ZINC000866360073 1124057398 /nfs/dbraw/zinc/05/73/98/1124057398.db2.gz CGWBRTRHMPVMDQ-NSHDSACASA-N -1 3 279.343 3.709 20 30 CHEDHM Cc1cc(Cl)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000357789123 1124108768 /nfs/dbraw/zinc/10/87/68/1124108768.db2.gz ADJISDDFOQWTHH-AWEZNQCLSA-N -1 3 299.761 3.545 20 30 CHEDHM C#CC[C@@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228135351 1124479368 /nfs/dbraw/zinc/47/93/68/1124479368.db2.gz ZEESDQHTGGQZOK-CYBMUJFWSA-N -1 3 274.360 3.728 20 30 CHEDHM C#CC[C@H](CC)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228135361 1124480156 /nfs/dbraw/zinc/48/01/56/1124480156.db2.gz ZEESDQHTGGQZOK-ZDUSSCGKSA-N -1 3 274.360 3.728 20 30 CHEDHM COc1cc(C(=O)/C=C/c2ccc(C)cc2)c(OC)cc1[O-] ZINC000122523924 1124507009 /nfs/dbraw/zinc/50/70/09/1124507009.db2.gz MIUPTUGIUUQRDN-CMDGGOBGSA-N -1 3 298.338 3.614 20 30 CHEDHM C[C@@H](NCC1(C#N)CCCCC1)c1cccc([O-])c1F ZINC000872089275 1124680374 /nfs/dbraw/zinc/68/03/74/1124680374.db2.gz WELBZEQZIOQSGI-GFCCVEGCSA-N -1 3 276.355 3.656 20 30 CHEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)oc1C ZINC000532267798 1125245207 /nfs/dbraw/zinc/24/52/07/1125245207.db2.gz FXBDONVBZKWHMQ-LBPRGKRZSA-N -1 3 293.326 3.571 20 30 CHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000880244224 1125259331 /nfs/dbraw/zinc/25/93/31/1125259331.db2.gz AEJDZSUGRPALBT-SNVBAGLBSA-N -1 3 295.408 3.818 20 30 CHEDHM N#Cc1nccc2cc(-c3ccc([O-])c(F)c3)ccc12 ZINC001240791285 1129356002 /nfs/dbraw/zinc/35/60/02/1129356002.db2.gz XZQAKTJDNATAJB-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM CS[C@@H]1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000743042218 1129511197 /nfs/dbraw/zinc/51/11/97/1129511197.db2.gz IAVPTAOXFWYHAF-QPVXSDEHSA-N -1 3 269.797 3.749 20 30 CHEDHM C[C@H](CC#N)N(C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000103460635 1129763784 /nfs/dbraw/zinc/76/37/84/1129763784.db2.gz IYMRCKVBOHYRNL-GFCCVEGCSA-N -1 3 298.386 3.751 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCOC2(CCC2)C1 ZINC000767688122 1129807924 /nfs/dbraw/zinc/80/79/24/1129807924.db2.gz JMWQGPPMUZWMIX-VGSSETLESA-N -1 3 279.767 3.566 20 30 CHEDHM CC(C)(C)CN(CCC#N)Cc1c([O-])cccc1Cl ZINC000119190100 1129847521 /nfs/dbraw/zinc/84/75/21/1129847521.db2.gz MWPMEIVSNYQAQX-UHFFFAOYSA-N -1 3 280.799 3.807 20 30 CHEDHM O=C([C@@H]1CC=CCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091866 1129862710 /nfs/dbraw/zinc/86/27/10/1129862710.db2.gz QOBQPRWMNVQIAV-OAHLLOKOSA-N -1 3 281.355 3.914 20 30 CHEDHM O=C(C1CC=CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096433 1129862844 /nfs/dbraw/zinc/86/28/44/1129862844.db2.gz DHKMUNTWZVFTGF-UHFFFAOYSA-N -1 3 286.158 3.677 20 30 CHEDHM O=C(c1ccsc1)N([O-])Cc1cccc2ccccc21 ZINC000900091827 1129863211 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CHEDHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186333527 526695833 /nfs/dbraw/zinc/69/58/33/526695833.db2.gz GHWJQSJCCXQHPC-QWHCGFSZSA-N -1 3 273.376 3.835 20 30 CHEDHM C[C@@H]1CCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000729641860 1125482625 /nfs/dbraw/zinc/48/26/25/1125482625.db2.gz ZWRUUQLCCDEDGY-YWQYZOJLSA-N -1 3 282.181 3.762 20 30 CHEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)[O-])c1Cl ZINC000659802305 975892520 /nfs/dbraw/zinc/89/25/20/975892520.db2.gz SGTFNBCKKUYMEW-BETUJISGSA-N -1 3 291.778 3.721 20 30 CHEDHM Cc1csc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212477596 1120353325 /nfs/dbraw/zinc/35/33/25/1120353325.db2.gz JPLUHZBNJZQOMU-UHFFFAOYSA-N -1 3 266.272 3.656 20 30 CHEDHM CC[C@@H](CC(F)(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177844 1126836975 /nfs/dbraw/zinc/83/69/75/1126836975.db2.gz PUCZWUVFXWJSMX-JTQLQIEISA-N -1 3 293.260 3.522 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000904206850 1126837669 /nfs/dbraw/zinc/83/76/69/1126837669.db2.gz 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ZINC000129408539 1118616749 /nfs/dbraw/zinc/61/67/49/1118616749.db2.gz VTNOWHXHJRVFAQ-LBPRGKRZSA-N -1 3 285.318 3.830 20 30 CHEDHM Cc1csc([N-]C(=O)c2cc(F)c(F)cc2F)c1C#N ZINC000335657501 1118632247 /nfs/dbraw/zinc/63/22/47/1118632247.db2.gz SPMPQKHWEATDLZ-UHFFFAOYSA-N -1 3 296.273 3.598 20 30 CHEDHM COc1cc(C(=O)/C=C\c2ccc(C)cc2)c(OC)cc1[O-] ZINC000255413338 1118861937 /nfs/dbraw/zinc/86/19/37/1118861937.db2.gz MIUPTUGIUUQRDN-HJWRWDBZSA-N -1 3 298.338 3.614 20 30 CHEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)cs2)c1[O-] ZINC000176298403 1118926590 /nfs/dbraw/zinc/92/65/90/1118926590.db2.gz TZQMHIYFOWKTSH-UHFFFAOYSA-N -1 3 292.747 3.540 20 30 CHEDHM CC(=NNc1cc(C)ccc1C)c1ccc([O-])c(F)c1 ZINC000728427976 1118930148 /nfs/dbraw/zinc/93/01/48/1118930148.db2.gz MYMYKZXOEALJOU-UHFFFAOYSA-N -1 3 272.323 3.984 20 30 CHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000617042941 1128812956 /nfs/dbraw/zinc/81/29/56/1128812956.db2.gz XKBAXUAUHQIFAL-ABAIWWIYSA-N -1 3 293.794 3.910 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cc(F)cc(F)c2)ccc1[O-] ZINC000255625190 1119653897 /nfs/dbraw/zinc/65/38/97/1119653897.db2.gz JSLWBZDADOSYNZ-RQOWECAXSA-N -1 3 290.265 3.575 20 30 CHEDHM COCc1ccc(Cl)c(-c2cccc(/C=N/[O-])c2)c1 ZINC001222268843 1120525463 /nfs/dbraw/zinc/52/54/63/1120525463.db2.gz PDFHDBNVNRUORU-RQZCQDPDSA-N -1 3 275.735 3.962 20 30 CHEDHM CCCCCCN([O-])C(=O)C[C@H](C)c1ccccc1 ZINC001161826897 1120548704 /nfs/dbraw/zinc/54/87/04/1120548704.db2.gz OQOPLVIUXXIZQV-AWEZNQCLSA-N -1 3 263.381 3.978 20 30 CHEDHM CCCCCCN([O-])C(=O)C[C@@H](C)c1ccccc1 ZINC001161826898 1120549256 /nfs/dbraw/zinc/54/92/56/1120549256.db2.gz OQOPLVIUXXIZQV-CQSZACIVSA-N -1 3 263.381 3.978 20 30 CHEDHM CCCCN([O-])C(=O)c1csc(-c2ccccc2C)n1 ZINC001161832995 1120552248 /nfs/dbraw/zinc/55/22/48/1120552248.db2.gz WPGLYTASIQYCLG-UHFFFAOYSA-N -1 3 290.388 3.750 20 30 CHEDHM CCOc1cc(F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001175289583 1121257741 /nfs/dbraw/zinc/25/77/41/1121257741.db2.gz AWNNGUWGWGEFFQ-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM C#Cc1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001175973321 1121508916 /nfs/dbraw/zinc/50/89/16/1121508916.db2.gz ZXXFBMYQWURPFM-UHFFFAOYSA-N -1 3 266.325 3.727 20 30 CHEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc([O-])cc1F ZINC000729932498 1121785503 /nfs/dbraw/zinc/78/55/03/1121785503.db2.gz CHKIYHSXUPYDQE-NSHDSACASA-N -1 3 272.323 3.606 20 30 CHEDHM C=CCC1(C(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC001178413712 1121786485 /nfs/dbraw/zinc/78/64/85/1121786485.db2.gz XGNCCFRQSBCFQK-UHFFFAOYSA-N -1 3 291.366 3.674 20 30 CHEDHM CCCCN([O-])C(=O)[C@H](C)c1cc2ccccc2o1 ZINC001184314612 1122266728 /nfs/dbraw/zinc/26/67/28/1122266728.db2.gz BZSHGIKPTKSUOC-LLVKDONJSA-N -1 3 261.321 3.554 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001184305820 1122267094 /nfs/dbraw/zinc/26/70/94/1122267094.db2.gz SFYYDMPYYIQKRJ-RYUDHWBXSA-N -1 3 297.345 3.866 20 30 CHEDHM CCCCN([O-])C(=O)Cc1ccc(Cl)cc1Cl ZINC001184314751 1122267314 /nfs/dbraw/zinc/26/73/14/1122267314.db2.gz JBMYHFZJWWAYDZ-UHFFFAOYSA-N -1 3 276.163 3.554 20 30 CHEDHM O=C([C@@H]1CCC=CCCC1)N([O-])Cc1ccc(F)cc1 ZINC001184349133 1122273334 /nfs/dbraw/zinc/27/33/34/1122273334.db2.gz WLHSXYKDZKMJIT-CQSZACIVSA-N -1 3 277.339 3.680 20 30 CHEDHM CSc1ccccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001186744172 1122405859 /nfs/dbraw/zinc/40/58/59/1122405859.db2.gz CYZMSPHRAUAVSM-UHFFFAOYSA-N -1 3 299.355 3.630 20 30 CHEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436819135 1122584046 /nfs/dbraw/zinc/58/40/46/1122584046.db2.gz CPJNZUQWKMALTD-AWEZNQCLSA-N -1 3 273.376 3.696 20 30 CHEDHM C=CCN(Cc1cccs1)Cc1c(F)ccc([O-])c1F ZINC000507014949 1122919319 /nfs/dbraw/zinc/91/93/19/1122919319.db2.gz ZADLKJOIICPUOM-UHFFFAOYSA-N -1 3 295.354 3.920 20 30 CHEDHM C[C@@H](C#N)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222377 1123080158 /nfs/dbraw/zinc/08/01/58/1123080158.db2.gz MHKNFEVQBANMPI-JTQLQIEISA-N -1 3 283.287 3.671 20 30 CHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC001202376256 1123204102 /nfs/dbraw/zinc/20/41/02/1123204102.db2.gz VPIDFIGHVJAOIV-UHFFFAOYSA-N -1 3 287.706 3.561 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000856034712 1123544967 /nfs/dbraw/zinc/54/49/67/1123544967.db2.gz KOXQDOUCEWJICZ-UONOGXRCSA-N -1 3 273.376 3.600 20 30 CHEDHM C=CCCO[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC000856034016 1123545291 /nfs/dbraw/zinc/54/52/91/1123545291.db2.gz ZNWAGXFKFHYVAU-UHFFFAOYSA-N -1 3 291.416 3.573 20 30 CHEDHM C=CC[C@@H](Oc1ccc(=O)[n-]n1)c1ccc(Cl)cc1 ZINC001227093661 1123546879 /nfs/dbraw/zinc/54/68/79/1123546879.db2.gz PHDUHOQNNYVRJC-GFCCVEGCSA-N -1 3 276.723 3.532 20 30 CHEDHM C=CC[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000862545002 1123818272 /nfs/dbraw/zinc/81/82/72/1123818272.db2.gz FNDRNYALRIPSJP-CYBMUJFWSA-N -1 3 281.355 3.584 20 30 CHEDHM CC(C)OC(=O)CC[C@@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000794833183 1123966633 /nfs/dbraw/zinc/96/66/33/1123966633.db2.gz LUWJHQLLKJYAAC-JWHLFPLYSA-N -1 3 297.782 3.585 20 30 CHEDHM Cc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794926049 1124073345 /nfs/dbraw/zinc/07/33/45/1124073345.db2.gz HUDFPRMVGCSBGJ-VURMDHGXSA-N -1 3 274.266 3.875 20 30 CHEDHM O=C1c2ccccc2CC/C1=C/c1c(F)ccc([O-])c1F ZINC000794927504 1124074450 /nfs/dbraw/zinc/07/44/50/1124074450.db2.gz RODYKDRIDFZZQU-LUAWRHEFSA-N -1 3 286.277 3.883 20 30 CHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(F)c(F)c1 ZINC000794934276 1124085410 /nfs/dbraw/zinc/08/54/10/1124085410.db2.gz QDFBRCCELHDUGH-DJWKRKHSSA-N -1 3 296.219 3.845 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccsc1 ZINC000794935795 1124093049 /nfs/dbraw/zinc/09/30/49/1124093049.db2.gz UREBFGQSGYDHPY-HNQUOIGGSA-N -1 3 266.268 3.628 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cc(F)cc(F)c1 ZINC000794941727 1124093815 /nfs/dbraw/zinc/09/38/15/1124093815.db2.gz WMABHODRNAWFTB-HNQUOIGGSA-N -1 3 296.219 3.845 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(Cl)nc1 ZINC000794946481 1124095080 /nfs/dbraw/zinc/09/50/80/1124095080.db2.gz OOFFXESSZRWACQ-DUXPYHPUSA-N -1 3 295.672 3.615 20 30 CHEDHM N#Cc1cnc2cc(-c3cc(F)ccc3[O-])ccc2c1 ZINC001240698318 1129322566 /nfs/dbraw/zinc/32/25/66/1129322566.db2.gz KJKDFDHVBWMHBL-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM CCO[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])C12CCC2 ZINC000741465709 1129436894 /nfs/dbraw/zinc/43/68/94/1129436894.db2.gz XQBZVTFWNPBQRA-SMZSATKYSA-N -1 3 293.794 3.812 20 30 CHEDHM CC(=NNc1cccc(F)c1F)c1cc(F)ccc1[O-] ZINC000743443492 1129524491 /nfs/dbraw/zinc/52/44/91/1129524491.db2.gz HEHQZMVOJYBEHX-UHFFFAOYSA-N -1 3 280.249 3.646 20 30 CHEDHM N#CC(=C([O-])c1ccc(F)cc1)c1nc(C2CC2)cs1 ZINC000647371122 1129576321 /nfs/dbraw/zinc/57/63/21/1129576321.db2.gz KZMAJJHDMFBAPF-LBPRGKRZSA-N -1 3 286.331 3.650 20 30 CHEDHM CCN(CC)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001212970068 1129642479 /nfs/dbraw/zinc/64/24/79/1129642479.db2.gz UBUNLZVJALNFPD-UHFFFAOYSA-N -1 3 281.359 3.854 20 30 CHEDHM CC(C)(C#N)c1ccc(Nc2ccc(Cl)c([O-])c2)cn1 ZINC001212589670 1129721291 /nfs/dbraw/zinc/72/12/91/1129721291.db2.gz YHQZEPFYYXEXKK-UHFFFAOYSA-N -1 3 287.750 3.985 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCSCC(F)(F)F ZINC000769549455 1129916962 /nfs/dbraw/zinc/91/69/62/1129916962.db2.gz RPIATKSLLVANPT-SOFYXZRVSA-N -1 3 297.729 3.760 20 30 CHEDHM CCCSCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369918 1129917586 /nfs/dbraw/zinc/91/75/86/1129917586.db2.gz KFHJVIRRORHIPV-UHFFFAOYSA-N -1 3 289.400 3.701 20 30 CHEDHM O=C([C@@H]1C[C@H]1C1CCC1)N([O-])Cc1cccc2ccccc21 ZINC000901371753 1129917679 /nfs/dbraw/zinc/91/76/79/1129917679.db2.gz YEXFPBMUYBCNDT-ZWKOTPCHSA-N -1 3 295.382 3.994 20 30 CHEDHM CC(C)(C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367347 1129917834 /nfs/dbraw/zinc/91/78/34/1129917834.db2.gz BACOECPERIOORW-UHFFFAOYSA-N -1 3 257.333 3.604 20 30 CHEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)s1 ZINC000901376399 1129918342 /nfs/dbraw/zinc/91/83/42/1129918342.db2.gz UIVTWVYIMGIUFH-UHFFFAOYSA-N -1 3 279.336 3.536 20 30 CHEDHM CC[C@H]1CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901374590 1129918451 /nfs/dbraw/zinc/91/84/51/1129918451.db2.gz MERGGQMXTOGQLM-MQMHXKEQSA-N -1 3 279.355 3.760 20 30 CHEDHM O=C(C(C1CCC1)C1CCC1)N([O-])Cc1ccc(F)cc1 ZINC000901373195 1129918461 /nfs/dbraw/zinc/91/84/61/1129918461.db2.gz UIGSMCYSCHFOGV-UHFFFAOYSA-N -1 3 291.366 3.760 20 30 CHEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000802101653 1129973180 /nfs/dbraw/zinc/97/31/80/1129973180.db2.gz ROELFNNRRYPJKA-GFCCVEGCSA-N -1 3 299.399 3.768 20 30 CHEDHM CC(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001239632720 1130025069 /nfs/dbraw/zinc/02/50/69/1130025069.db2.gz WVSAVNLPCSEFNV-RQZCQDPDSA-N -1 3 257.264 3.503 20 30 CHEDHM CCOc1cc(C=NNC2CCCCC2)cc(Cl)c1[O-] ZINC000786041651 1130075677 /nfs/dbraw/zinc/07/56/77/1130075677.db2.gz AQSRUHBOAOSIAE-UHFFFAOYSA-N -1 3 296.798 3.701 20 30 CHEDHM COc1cccc(-c2ccc(/C(C)=N/[O-])cc2)c1F ZINC001239753439 1130092522 /nfs/dbraw/zinc/09/25/22/1130092522.db2.gz PEYSIAQBFNUMAT-LICLKQGHSA-N -1 3 259.280 3.700 20 30 CHEDHM CC[C@H](C)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000790182811 1130294930 /nfs/dbraw/zinc/29/49/30/1130294930.db2.gz LINUNTIENABHFS-NSHDSACASA-N -1 3 256.349 3.658 20 30 CHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nccc2ccccc21 ZINC000792102908 1130429177 /nfs/dbraw/zinc/42/91/77/1130429177.db2.gz KAVKWFUYDMZKKK-IWAYRVGRSA-N -1 3 299.333 3.519 20 30 CHEDHM [O-]c1ccc(C=NNc2cccc(Cl)n2)cc1Cl ZINC000793174154 1130526999 /nfs/dbraw/zinc/52/69/99/1130526999.db2.gz IZCYMZQTGXVHGJ-UHFFFAOYSA-N -1 3 282.130 3.540 20 30 CHEDHM C[C@@H](CCc1ccccc1)Oc1cc([O-])cc(C#N)c1 ZINC001234144091 1130610801 /nfs/dbraw/zinc/61/08/01/1130610801.db2.gz IWPMPZZBHNNTRZ-ZDUSSCGKSA-N -1 3 267.328 3.664 20 30 CHEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC001234143087 1130611165 /nfs/dbraw/zinc/61/11/65/1130611165.db2.gz ZPZNDMTWRJLCSS-JTQLQIEISA-N -1 3 257.264 3.543 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@H]2CCc3cc(Cl)ccc32)c1 ZINC001234144600 1130611701 /nfs/dbraw/zinc/61/17/01/1130611701.db2.gz QZLWLEAFAJWCRD-INIZCTEOSA-N -1 3 285.730 3.984 20 30 CHEDHM C[C@@H]1CC(=NOC/C=C/Cl)c2c1c(F)ccc2[O-] ZINC000811670140 1130634776 /nfs/dbraw/zinc/63/47/76/1130634776.db2.gz YKQZOPBIZQTOOQ-JHEQUESKSA-N -1 3 269.703 3.512 20 30 CHEDHM C=CCC(CC=C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234688800 1130672282 /nfs/dbraw/zinc/67/22/82/1130672282.db2.gz KIZOSLADRXUQJJ-UHFFFAOYSA-N -1 3 282.343 3.749 20 30 CHEDHM COc1cccc(-c2cc([O-])cc(Cl)c2)c1C#N ZINC001235904412 1130802242 /nfs/dbraw/zinc/80/22/42/1130802242.db2.gz RXLZSLNMJOPLEZ-UHFFFAOYSA-N -1 3 259.692 3.593 20 30 CHEDHM N#Cc1c(F)ccc(-c2ccc([O-])cc2Cl)c1F ZINC001245084267 1130803845 /nfs/dbraw/zinc/80/38/45/1130803845.db2.gz VUSKLPWSMQGFAG-UHFFFAOYSA-N -1 3 265.646 3.862 20 30 CHEDHM COc1cc(F)c(-c2ccc(/C(C)=N/[O-])cc2)cc1OC ZINC001236320389 1130914734 /nfs/dbraw/zinc/91/47/34/1130914734.db2.gz SKJVVQVPSIJTQP-VCHYOVAHSA-N -1 3 289.306 3.708 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)c(C3CC3)c2)c1O ZINC000798343635 1131033121 /nfs/dbraw/zinc/03/31/21/1131033121.db2.gz MRJHXQYTUCLHQY-UHFFFAOYSA-N -1 3 287.290 3.571 20 30 CHEDHM C=CCN(CC=C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237081457 1131048142 /nfs/dbraw/zinc/04/81/42/1131048142.db2.gz LCMVFBJAFLHFCH-UHFFFAOYSA-N -1 3 272.175 3.873 20 30 CHEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1c(C)cc(C)cc1[O-] ZINC000799865852 1131109753 /nfs/dbraw/zinc/10/97/53/1131109753.db2.gz ZKOVEKSNKIKCAW-UHFFFAOYSA-N -1 3 299.330 3.753 20 30 CHEDHM N#Cc1ccc2c(c1)nccc2-c1c([O-])cccc1F ZINC001245656102 1131111710 /nfs/dbraw/zinc/11/17/10/1131111710.db2.gz LZDFTRADUNTUJN-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(C#N)c2)CC1 ZINC001144653042 1131674872 /nfs/dbraw/zinc/67/48/72/1131674872.db2.gz HFCUZPFTRKJWIZ-JOCQHMNTSA-N -1 3 286.375 3.665 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1cccc2ccccc21 ZINC000846550779 1131713424 /nfs/dbraw/zinc/71/34/24/1131713424.db2.gz RJUATVZKOXDOMM-AWEZNQCLSA-N -1 3 299.370 3.621 20 30 CHEDHM C=CC[C@@H](CCC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746890 1131733856 /nfs/dbraw/zinc/73/38/56/1131733856.db2.gz WPNNTTVRKRDRKM-NSHDSACASA-N -1 3 275.308 3.595 20 30 CHEDHM C=CC[C@@H](CCC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746890 1131733861 /nfs/dbraw/zinc/73/38/61/1131733861.db2.gz WPNNTTVRKRDRKM-NSHDSACASA-N -1 3 275.308 3.595 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ncc(Cl)cc2[O-])O1 ZINC001227981780 1131780479 /nfs/dbraw/zinc/78/04/79/1131780479.db2.gz ZPOHJOPDNISFNY-DOMZBBRYSA-N -1 3 297.782 3.722 20 30 CHEDHM C=C[C@H](CCCC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622829 1131924569 /nfs/dbraw/zinc/92/45/69/1131924569.db2.gz MGCQOIRJGDZFMZ-GFCCVEGCSA-N -1 3 288.343 3.931 20 30 CHEDHM C=C[C@@H](CCC)Oc1nc(=S)[n-]c2sccc21 ZINC001229571012 1132089644 /nfs/dbraw/zinc/08/96/44/1132089644.db2.gz YARXKKISDARWAD-QMMMGPOBSA-N -1 3 266.391 3.714 20 30 CHEDHM C=C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccc1 ZINC001231073751 1132251760 /nfs/dbraw/zinc/25/17/60/1132251760.db2.gz JAXMZXUBSRBMHO-CQSZACIVSA-N -1 3 296.301 3.781 20 30 CHEDHM CC(F)(F)CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000840705922 1132273432 /nfs/dbraw/zinc/27/34/32/1132273432.db2.gz GJKFMNXOSKNLRS-LZYBPNLTSA-N -1 3 261.699 3.900 20 30 CHEDHM CCCCCCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563187 1132315535 /nfs/dbraw/zinc/31/55/35/1132315535.db2.gz FKDQRJLIYRZNAM-UHFFFAOYSA-N -1 3 293.407 3.883 20 30 CHEDHM CCCCCCCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563187 1132315544 /nfs/dbraw/zinc/31/55/44/1132315544.db2.gz FKDQRJLIYRZNAM-UHFFFAOYSA-N -1 3 293.407 3.883 20 30 CHEDHM C=C[C@@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233680362 1132663460 /nfs/dbraw/zinc/66/34/60/1132663460.db2.gz IOVPQNGBNCNZRP-MRXNPFEDSA-N -1 3 266.296 3.568 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1cccs1 ZINC001233799330 1132679926 /nfs/dbraw/zinc/67/99/26/1132679926.db2.gz IEXJXAMRNKNZLW-KXUVPBGPSA-N -1 3 277.345 3.705 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1OC1CCCCCC1 ZINC001233802921 1132681303 /nfs/dbraw/zinc/68/13/03/1132681303.db2.gz KCUZRBYEIJBNKB-LFIBNONCSA-N -1 3 263.337 3.605 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001233802909 1132681678 /nfs/dbraw/zinc/68/16/78/1132681678.db2.gz JXZUSZVLXCVZMH-OMZBXQEKSA-N -1 3 277.364 3.707 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](CC(C)C)C(C)C ZINC001233803066 1132681931 /nfs/dbraw/zinc/68/19/31/1132681931.db2.gz LBOSIDVGYBOJGO-ADFUCPMPSA-N -1 3 279.380 3.953 20 30 CHEDHM N#C[C@@H](Nc1ccc2c(c1)[N-]C(=S)C2)c1ccccc1 ZINC001161726168 1133021532 /nfs/dbraw/zinc/02/15/32/1133021532.db2.gz WCNNIYMLAWRQRX-OAHLLOKOSA-N -1 3 279.368 3.659 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001161826977 1133033037 /nfs/dbraw/zinc/03/30/37/1133033037.db2.gz RIHRLDSERGOSKB-OLZOCXBDSA-N -1 3 297.345 3.866 20 30 CHEDHM [O-]/N=C/c1cccc(-c2cccc(OCC3CC3)c2)c1 ZINC001206770280 1133745534 /nfs/dbraw/zinc/74/55/34/1133745534.db2.gz KBJGWVPQJBTYMG-WOJGMQOQSA-N -1 3 267.328 3.951 20 30 CHEDHM N#Cc1ccc(Nc2ccc(F)cc2[O-])c(F)c1Cl ZINC001210019770 1134124234 /nfs/dbraw/zinc/12/42/34/1134124234.db2.gz UVBAYLIVFBZKNV-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(F)cc1[O-] ZINC001210017307 1134123953 /nfs/dbraw/zinc/12/39/53/1134123953.db2.gz XCLATJAPWXCFPK-UHFFFAOYSA-N -1 3 297.211 3.560 20 30 CHEDHM Cc1cc(C#N)c(Nc2ccc(F)cc2[O-])cc1F ZINC001210019726 1134124357 /nfs/dbraw/zinc/12/43/57/1134124357.db2.gz CFHRCCFBRICYRZ-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM Cc1ccc(Nc2cc(F)c(F)cc2[O-])c(C#N)c1 ZINC001210569690 1134252056 /nfs/dbraw/zinc/25/20/56/1134252056.db2.gz TXLGKWODLDAVCC-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM CCc1cc(OC)ccc1Nc1cc(C#N)ccc1[O-] ZINC001210716413 1134281128 /nfs/dbraw/zinc/28/11/28/1134281128.db2.gz ICIKUVSTUYKGOF-UHFFFAOYSA-N -1 3 268.316 3.578 20 30 CHEDHM N#Cc1ccc([N-]c2nc3cc(Cl)ccc3o2)c(N)c1 ZINC001213346825 1134442637 /nfs/dbraw/zinc/44/26/37/1134442637.db2.gz FGHIKRFQMWFOCD-UHFFFAOYSA-N -1 3 284.706 3.679 20 30 CHEDHM C#Cc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001213381700 1134446184 /nfs/dbraw/zinc/44/61/84/1134446184.db2.gz AIUSIDGSSMBPNW-UHFFFAOYSA-N -1 3 263.218 3.534 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(N3CCCC3)cc2F)c1 ZINC001213851930 1134491169 /nfs/dbraw/zinc/49/11/69/1134491169.db2.gz WZECKUWHLWUXSE-UHFFFAOYSA-N -1 3 297.333 3.747 20 30 CHEDHM Cc1nc(C#N)c([N-]c2c(Cl)ccc(F)c2F)o1 ZINC001213945703 1134499541 /nfs/dbraw/zinc/49/95/41/1134499541.db2.gz ONMCIJFWPGVHKE-UHFFFAOYSA-N -1 3 269.638 3.530 20 30 CHEDHM N#CCc1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214559342 1134550944 /nfs/dbraw/zinc/55/09/44/1134550944.db2.gz MWTMYGCZTPNLBY-UHFFFAOYSA-N -1 3 276.698 3.994 20 30 CHEDHM CCCOc1ccc(F)c([N-]c2oc(C)nc2C#N)c1F ZINC001215566871 1134643290 /nfs/dbraw/zinc/64/32/90/1134643290.db2.gz ISKSQEUIOWWZMS-UHFFFAOYSA-N -1 3 293.273 3.665 20 30 CHEDHM CCc1cc(Nc2ccc(F)c([O-])c2)ccc1C#N ZINC001216315064 1134847571 /nfs/dbraw/zinc/84/75/71/1134847571.db2.gz RYRDSZFSYRXAPP-UHFFFAOYSA-N -1 3 256.280 3.709 20 30 CHEDHM Cn1cc(-c2cc(/C=N/[O-])ccc2F)c(-c2ccccc2)n1 ZINC001222544304 1135249999 /nfs/dbraw/zinc/24/99/99/1135249999.db2.gz LHERTCRWKJCXJC-VXLYETTFSA-N -1 3 295.317 3.701 20 30 CHEDHM Cc1cc(C#N)cc(C)c1-c1ccccc1C=N[O-] ZINC001222673153 1135262668 /nfs/dbraw/zinc/26/26/68/1135262668.db2.gz XRXICDCXFCCAKI-UHFFFAOYSA-N -1 3 250.301 3.650 20 30 CHEDHM N#Cc1cccc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001225223279 1135517944 /nfs/dbraw/zinc/51/79/44/1135517944.db2.gz JWGWHYKHVZRTOX-QGZVFWFLSA-N -1 3 293.278 3.747 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225343442 1135548268 /nfs/dbraw/zinc/54/82/68/1135548268.db2.gz WQBRJFWJOGBVIW-DYVFJYSZSA-N -1 3 284.355 3.942 20 30 CHEDHM Cc1cc(=O)c(C#N)c(O[C@H](c2ccccc2)C(C)C)[n-]1 ZINC001225469480 1135571650 /nfs/dbraw/zinc/57/16/50/1135571650.db2.gz KYZWZYFJWWTPHN-INIZCTEOSA-N -1 3 282.343 3.743 20 30 CHEDHM C=CC[C@@H](Oc1[n-]c(=S)ncc1C)c1ccccc1 ZINC001225741985 1135617079 /nfs/dbraw/zinc/61/70/79/1135617079.db2.gz FOBQRAIGMIIUTJ-CYBMUJFWSA-N -1 3 272.373 3.770 20 30 CHEDHM C=CC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226481240 1135702707 /nfs/dbraw/zinc/70/27/07/1135702707.db2.gz DLPPKPAEULKSQM-INIZCTEOSA-N -1 3 298.338 3.997 20 30 CHEDHM C=C[C@H](CCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531766 1135708768 /nfs/dbraw/zinc/70/87/68/1135708768.db2.gz HNWTWJDCNNVARQ-LLVKDONJSA-N -1 3 274.316 3.541 20 30 CHEDHM Cc1ccc2c(c1)CC[C@H]2Oc1cc(C#N)ccc1[O-] ZINC001227345032 1135823541 /nfs/dbraw/zinc/82/35/41/1135823541.db2.gz IAPQGWKTCLWRSB-MRXNPFEDSA-N -1 3 265.312 3.639 20 30 CHEDHM N#Cc1ccsc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000334608706 225106633 /nfs/dbraw/zinc/10/66/33/225106633.db2.gz WDGNFPVHTNJLBF-UHFFFAOYSA-N -1 3 298.701 3.804 20 30 CHEDHM N#CC(=C([O-])c1ccc(-c2ccccc2)cc1)c1ccncn1 ZINC000354467169 227004950 /nfs/dbraw/zinc/00/49/50/227004950.db2.gz KJKIIZYWJKBSEO-KRWDZBQOSA-N -1 3 299.333 3.634 20 30 CHEDHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)ccc1[O-] ZINC000336632498 227224702 /nfs/dbraw/zinc/22/47/02/227224702.db2.gz KVVCIRXDHLWPRH-UHFFFAOYSA-N -1 3 294.354 3.754 20 30 CHEDHM CSc1nnc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)[n-]1 ZINC000329054835 227274838 /nfs/dbraw/zinc/27/48/38/227274838.db2.gz HVOAXNVTOKPBOW-HBNTYKKESA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1n[n-]c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC000329054835 227274842 /nfs/dbraw/zinc/27/48/42/227274842.db2.gz HVOAXNVTOKPBOW-HBNTYKKESA-N -1 3 294.424 3.721 20 30 CHEDHM CSc1nc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)n[n-]1 ZINC000329054835 227274847 /nfs/dbraw/zinc/27/48/47/227274847.db2.gz HVOAXNVTOKPBOW-HBNTYKKESA-N -1 3 294.424 3.721 20 30 CHEDHM Cc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c([O-])c1 ZINC000353520488 228114136 /nfs/dbraw/zinc/11/41/36/228114136.db2.gz WCNQQCIPADRYNM-HNNXBMFYSA-N -1 3 294.354 3.727 20 30 CHEDHM CCCn1nc(C)c(/C=C/C(=O)c2cccc([O-])c2)c1C ZINC000160703154 261223485 /nfs/dbraw/zinc/22/34/85/261223485.db2.gz VSHKISKIYOCWFW-CMDGGOBGSA-N -1 3 284.359 3.512 20 30 CHEDHM CCCOc1ccc(/C=N/[C@H](C)C(F)(F)F)c([O-])c1 ZINC000287046482 263100810 /nfs/dbraw/zinc/10/08/10/263100810.db2.gz IJMYGXNUUQDOAA-YFEDRJBBSA-N -1 3 275.270 3.551 20 30 CHEDHM CCc1ccc([O-])c(C(=O)NCC2CCC(C#N)CC2)c1 ZINC000331280080 264171536 /nfs/dbraw/zinc/17/15/36/264171536.db2.gz QEQZAWZHGYJEBU-UHFFFAOYSA-N -1 3 286.375 3.589 20 30 CHEDHM N#CC[C@@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000356585766 266143255 /nfs/dbraw/zinc/14/32/55/266143255.db2.gz ZABDDLFKUMRWNS-ZDUSSCGKSA-N -1 3 298.317 3.557 20 30 CHEDHM Cc1cccc([O-])c1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356611415 266148967 /nfs/dbraw/zinc/14/89/67/266148967.db2.gz BYQFDUUUTWWIAP-HNNXBMFYSA-N -1 3 294.354 3.727 20 30 CHEDHM C=CCN(Cc1occc1C(=O)[O-])CC1CCCCC1 ZINC000563277502 328006555 /nfs/dbraw/zinc/00/65/55/328006555.db2.gz MYNZYBHRKAYSFF-UHFFFAOYSA-N -1 3 277.364 3.546 20 30 CHEDHM CCN(Cc1cc([O-])cc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000186186181 329339096 /nfs/dbraw/zinc/33/90/96/329339096.db2.gz AETSXGVKZRUHKH-CYBMUJFWSA-N -1 3 298.361 3.986 20 30 CHEDHM Cc1cc2occ(C([O-])=C(C#N)c3ccccn3)c2cc1C ZINC000187475295 329358087 /nfs/dbraw/zinc/35/80/87/329358087.db2.gz KKQPVTPUMHFCRR-AWEZNQCLSA-N -1 3 290.322 3.935 20 30 CHEDHM CCSCc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000434625462 330641970 /nfs/dbraw/zinc/64/19/70/330641970.db2.gz JIMBHKQJJYTBEB-OAHLLOKOSA-N -1 3 296.395 3.825 20 30 CHEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc(C)c1[O-] ZINC000303490623 332932675 /nfs/dbraw/zinc/93/26/75/332932675.db2.gz VXIKOJNBFRABFX-UHFFFAOYSA-N -1 3 287.403 3.909 20 30 CHEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)cc2)c([O-])c1 ZINC000501946572 332643869 /nfs/dbraw/zinc/64/38/69/332643869.db2.gz JGZKOHYDGOSUBY-UHFFFAOYSA-N -1 3 294.354 3.814 20 30 CHEDHM C=CCCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000576194769 335167478 /nfs/dbraw/zinc/16/74/78/335167478.db2.gz BIDHANALYBVMJV-UHFFFAOYSA-N -1 3 294.420 3.512 20 30 CHEDHM Cc1csc([N-]C(=O)c2csc(C3CC3)n2)c1C#N ZINC000579280948 335731125 /nfs/dbraw/zinc/73/11/25/335731125.db2.gz VBOXPWKVMMIHOD-UHFFFAOYSA-N -1 3 289.385 3.514 20 30 CHEDHM C=C(CC)CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823883237 608298963 /nfs/dbraw/zinc/29/89/63/608298963.db2.gz LWBMNIOFBURJBY-NSHDSACASA-N -1 3 274.393 3.627 20 30 CHEDHM C=C(CC)CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823883237 608298965 /nfs/dbraw/zinc/29/89/65/608298965.db2.gz LWBMNIOFBURJBY-NSHDSACASA-N -1 3 274.393 3.627 20 30 CHEDHM Cc1cccc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212485869 1120369552 /nfs/dbraw/zinc/36/95/52/1120369552.db2.gz AUYPXEKXVDWZKR-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM C=CC(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC001184283775 1122269802 /nfs/dbraw/zinc/26/98/02/1122269802.db2.gz PSFJODVSVKKUNG-UHFFFAOYSA-N -1 3 267.756 3.660 20 30 CHEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1c([O-])cccc1F ZINC000886578138 1125692395 /nfs/dbraw/zinc/69/23/95/1125692395.db2.gz LBGHDTAYBQVAQW-LBPRGKRZSA-N -1 3 296.345 3.743 20 30 CHEDHM O=C(c1ccsc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901371805 1129917433 /nfs/dbraw/zinc/91/74/33/1129917433.db2.gz IODXEBSLTVKCSL-UHFFFAOYSA-N -1 3 285.727 3.572 20 30 CHEDHM O=C(CC1CCCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901376289 1129918040 /nfs/dbraw/zinc/91/80/40/1129918040.db2.gz SNLZMTVDNCCIGM-UHFFFAOYSA-N -1 3 265.328 3.514 20 30 CHEDHM O=C(CCC(F)F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180327 1126836259 /nfs/dbraw/zinc/83/62/59/1126836259.db2.gz JNVQTYYKDOSYFK-UHFFFAOYSA-N -1 3 298.116 3.757 20 30 CHEDHM CC(=NOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000777458190 1126939360 /nfs/dbraw/zinc/93/93/60/1126939360.db2.gz ABRNGYGKFQQNOJ-UHFFFAOYSA-N -1 3 251.301 3.605 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC(F)(F)C1 ZINC000797399350 1130984209 /nfs/dbraw/zinc/98/42/09/1130984209.db2.gz WSJXMPWCYUIDGI-QQWZZVHASA-N -1 3 273.710 3.900 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCC[C@@H]1CCCCO1 ZINC000761015961 1127381053 /nfs/dbraw/zinc/38/10/53/1127381053.db2.gz SUHDWOCAMWVVDL-FMNVXAMXSA-N -1 3 281.783 3.814 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(O)cc1 ZINC000007333190 1127689519 /nfs/dbraw/zinc/68/95/19/1127689519.db2.gz BVHYDKDULGTQBA-KWINOFQJSA-N -1 3 284.286 3.620 20 30 CHEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000467996933 1127986837 /nfs/dbraw/zinc/98/68/37/1127986837.db2.gz XLMHAQNRKZISOL-VIFPVBQESA-N -1 3 253.729 3.586 20 30 CHEDHM Cc1ccc2c(c1)[C@H](/N=C/c1cc(Cl)ccc1[O-])CO2 ZINC000763097034 1128350559 /nfs/dbraw/zinc/35/05/59/1128350559.db2.gz NFZMQOHOYVBXAP-GHIJENOOSA-N -1 3 287.746 3.907 20 30 CHEDHM CC(=NNc1cc(C)cc(C)c1)c1cc(F)ccc1[O-] ZINC000916620375 1128430189 /nfs/dbraw/zinc/43/01/89/1128430189.db2.gz GOLOCOXNHXRGFR-UHFFFAOYSA-N -1 3 272.323 3.984 20 30 CHEDHM Cc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1[O-] ZINC000127730152 1128482081 /nfs/dbraw/zinc/48/20/81/1128482081.db2.gz YKMUVLWTPFFNLU-UHFFFAOYSA-N -1 3 294.354 3.754 20 30 CHEDHM C=CCCCCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000566978946 1128555815 /nfs/dbraw/zinc/55/58/15/1128555815.db2.gz GYHRJBLFPNWDOY-UHFFFAOYSA-N -1 3 297.345 3.598 20 30 CHEDHM CSC[C@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369319 1128674356 /nfs/dbraw/zinc/67/43/56/1128674356.db2.gz ARHADOXIFIMSJJ-LBPRGKRZSA-N -1 3 289.400 3.557 20 30 CHEDHM N#CCCN(Cc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000159579728 1128711257 /nfs/dbraw/zinc/71/12/57/1128711257.db2.gz KZYFROWXQFHWCA-UHFFFAOYSA-N -1 3 290.750 3.554 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2cccc(C(F)(F)F)c2)c1O ZINC000255049405 1118044500 /nfs/dbraw/zinc/04/45/00/1118044500.db2.gz XLQFEUOSDPVIIA-UHFFFAOYSA-N -1 3 297.232 3.573 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)ccc1[O-] ZINC000728230702 1118047749 /nfs/dbraw/zinc/04/77/49/1118047749.db2.gz FUIMNHNWHDATMB-UTCJRWHESA-N -1 3 274.266 3.875 20 30 CHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728232931 1118063682 /nfs/dbraw/zinc/06/36/82/1118063682.db2.gz YFQLWKPNMHKJHJ-UITAMQMPSA-N -1 3 268.312 3.605 20 30 CHEDHM COc1ccc(C)cc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728232973 1118063820 /nfs/dbraw/zinc/06/38/20/1118063820.db2.gz ZEPAXBUKVVVQHA-VURMDHGXSA-N -1 3 282.339 3.914 20 30 CHEDHM COc1ccsc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000764431413 1118091932 /nfs/dbraw/zinc/09/19/32/1118091932.db2.gz COEFVWNVYVXFEF-WAYWQWQTSA-N -1 3 274.341 3.667 20 30 CHEDHM CCCCCCN([O-])C(=O)CCCOc1cccc(C)c1 ZINC001649052490 1118275299 /nfs/dbraw/zinc/27/52/99/1118275299.db2.gz YRSWCKSYBPYMPF-UHFFFAOYSA-N -1 3 293.407 3.952 20 30 CHEDHM CCCCCCN([O-])C(=O)Cc1cccc(C)c1Cl ZINC001649057189 1118284657 /nfs/dbraw/zinc/28/46/57/1118284657.db2.gz SBWREJNIXHNGIE-UHFFFAOYSA-N -1 3 283.799 3.989 20 30 CHEDHM CCCCCCN([O-])C(=O)CCC[Si](C)(C)C ZINC001649057510 1118285495 /nfs/dbraw/zinc/28/54/95/1118285495.db2.gz ZPYOFCZPWHBPNV-UHFFFAOYSA-N -1 3 259.466 3.903 20 30 CHEDHM CSc1cc(Nc2cc(C#N)ccc2[O-])ccc1F ZINC001215795238 1118589420 /nfs/dbraw/zinc/58/94/20/1118589420.db2.gz JCLCQXYIRZEZMC-UHFFFAOYSA-N -1 3 274.320 3.868 20 30 CHEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000834995803 1118730950 /nfs/dbraw/zinc/73/09/50/1118730950.db2.gz BPARVTIJHQACFB-JTQLQIEISA-N -1 3 296.292 3.810 20 30 CHEDHM Cc1cc(Cl)c(N)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001216093735 1118758198 /nfs/dbraw/zinc/75/81/98/1118758198.db2.gz SDOAFFAMRXZIDA-UHFFFAOYSA-N -1 3 273.723 3.552 20 30 CHEDHM CSC(C)(C)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255456417 1118957913 /nfs/dbraw/zinc/95/79/13/1118957913.db2.gz AACRHWOKXCDGBI-AUWJEWJLSA-N -1 3 257.786 3.606 20 30 CHEDHM N#Cc1ccccc1CNc1[n-]c(=O)c(Cl)cc1Cl ZINC001167632260 1119243497 /nfs/dbraw/zinc/24/34/97/1119243497.db2.gz UMTICHIWOZGWQR-UHFFFAOYSA-N -1 3 294.141 3.578 20 30 CHEDHM COCc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000588595783 1119503028 /nfs/dbraw/zinc/50/30/28/1119503028.db2.gz MENFWHGINOPWCV-UHFFFAOYSA-N -1 3 275.735 3.943 20 30 CHEDHM C=CCCO[N-]C(=O)Cc1coc2c1ccc(Cl)c2C ZINC001168627629 1120090341 /nfs/dbraw/zinc/09/03/41/1120090341.db2.gz SPJNHYVVDLEPGO-UHFFFAOYSA-N -1 3 293.750 3.561 20 30 CHEDHM Cc1cc2cc(C([O-])=C(C#N)c3ccccn3)oc2cc1C ZINC000122751465 1120242638 /nfs/dbraw/zinc/24/26/38/1120242638.db2.gz VIHTZCFOAJHAQW-AWEZNQCLSA-N -1 3 290.322 3.935 20 30 CHEDHM Cc1cc(C#N)cc(C)c1Nc1cc(F)cc(F)c1[O-] ZINC001212487383 1120372846 /nfs/dbraw/zinc/37/28/46/1120372846.db2.gz HYSFRSKPAOKLFC-UHFFFAOYSA-N -1 3 274.270 3.903 20 30 CHEDHM CCOc1ccc(C)cc1Nc1cc(C#N)ccc1[O-] ZINC001175124418 1121194035 /nfs/dbraw/zinc/19/40/35/1121194035.db2.gz PJIFPYIEIRVCNB-UHFFFAOYSA-N -1 3 268.316 3.715 20 30 CHEDHM CCOc1cccc(Nc2cc(C#N)ccc2[O-])c1F ZINC001175238620 1121238236 /nfs/dbraw/zinc/23/82/36/1121238236.db2.gz DJYRSBZILUSKNF-UHFFFAOYSA-N -1 3 272.279 3.545 20 30 CHEDHM CSc1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175285376 1121253625 /nfs/dbraw/zinc/25/36/25/1121253625.db2.gz OHJRFZKOYTZPSB-UHFFFAOYSA-N -1 3 256.330 3.729 20 30 CHEDHM CCCOc1cccc(F)c1Nc1cc(C#N)ccc1[O-] ZINC001211790023 1121590452 /nfs/dbraw/zinc/59/04/52/1121590452.db2.gz QVJDLHGEXGGGGJ-UHFFFAOYSA-N -1 3 286.306 3.935 20 30 CHEDHM N#Cc1cc(Nc2c(F)cc(F)c(F)c2F)ccc1[O-] ZINC001176350909 1121612678 /nfs/dbraw/zinc/61/26/78/1121612678.db2.gz HFMMYOKVIJIELD-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM C=CCn1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001176542113 1121640349 /nfs/dbraw/zinc/64/03/49/1121640349.db2.gz OFJNSJKOYBMILE-UHFFFAOYSA-N -1 3 274.711 3.607 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(OC(F)(F)F)c2)c1 ZINC001176541019 1121646507 /nfs/dbraw/zinc/64/65/07/1121646507.db2.gz OLPCZXOGMGFXLY-UHFFFAOYSA-N -1 3 294.232 3.906 20 30 CHEDHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000025437857 1121709927 /nfs/dbraw/zinc/70/99/27/1121709927.db2.gz BRGHCHYPACBMJX-UHFFFAOYSA-N -1 3 294.354 3.754 20 30 CHEDHM C=CCN(Cc1ccc([O-])c(F)c1)Cc1ccccc1F ZINC001180175470 1121954177 /nfs/dbraw/zinc/95/41/77/1121954177.db2.gz UURGDGNPSUWEPB-UHFFFAOYSA-N -1 3 289.325 3.859 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)c(F)c(C)c2)n1 ZINC000153121178 1129022376 /nfs/dbraw/zinc/02/23/76/1129022376.db2.gz MRQCSSBTISKRKE-LBPRGKRZSA-N -1 3 288.347 3.698 20 30 CHEDHM C#CC[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccccn1 ZINC000733691503 1122005583 /nfs/dbraw/zinc/00/55/83/1122005583.db2.gz URZXZHFEXNWGHS-AWEZNQCLSA-N -1 3 296.351 3.546 20 30 CHEDHM Cc1cc(C)c(NC(=O)Nc2ccc([O-])cc2C#N)c(C)c1 ZINC001181266804 1122046674 /nfs/dbraw/zinc/04/66/74/1122046674.db2.gz QEHHZVZNECPGDH-UHFFFAOYSA-N -1 3 295.342 3.833 20 30 CHEDHM CCCCCCN([O-])C(=O)CCn1ccc2ccccc21 ZINC001184305963 1122267321 /nfs/dbraw/zinc/26/73/21/1122267321.db2.gz YJNFNWXCTDEAGR-UHFFFAOYSA-N -1 3 288.391 3.830 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCC(F)(F)C1 ZINC001184305992 1122267478 /nfs/dbraw/zinc/26/74/78/1122267478.db2.gz ZLZGEYUAUAHPHL-NSHDSACASA-N -1 3 263.328 3.610 20 30 CHEDHM CCc1cccc(C)c1NC(=O)Nc1ccc([O-])cc1C#N ZINC001189981721 1122521509 /nfs/dbraw/zinc/52/15/09/1122521509.db2.gz KLDAJFIICXWJOP-UHFFFAOYSA-N -1 3 295.342 3.779 20 30 CHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C)cc1[O-] ZINC000436827459 1122585961 /nfs/dbraw/zinc/58/59/61/1122585961.db2.gz NVRLGUOIVZUTAI-UHFFFAOYSA-N -1 3 295.382 3.919 20 30 CHEDHM Cc1nc(CC/N=C/c2cc(Cl)ccc2[O-])sc1C ZINC000121536484 1123033357 /nfs/dbraw/zinc/03/33/57/1123033357.db2.gz LYNZXVBYOZTIKP-LZYBPNLTSA-N -1 3 294.807 3.781 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccsc1 ZINC000007333214 1123249001 /nfs/dbraw/zinc/24/90/01/1123249001.db2.gz UDSNDMCCOYHLJM-QMEHYBMDSA-N -1 3 274.316 3.976 20 30 CHEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCSC1 ZINC000863124703 1123845965 /nfs/dbraw/zinc/84/59/65/1123845965.db2.gz ARCXDBSHLFBNIM-UHFFFAOYSA-N -1 3 290.417 3.587 20 30 CHEDHM CCC[C@@H](CN=Nc1nc2ccccc2[n-]c1=S)OC ZINC000863125155 1123846446 /nfs/dbraw/zinc/84/64/46/1123846446.db2.gz OGGPTYXSPJSTCT-JTQLQIEISA-N -1 3 290.392 3.505 20 30 CHEDHM Cc1cc(F)ccc1NN=Cc1c(F)ccc([O-])c1F ZINC000794523816 1123865768 /nfs/dbraw/zinc/86/57/68/1123865768.db2.gz KMHGTLOOCUIJPE-UHFFFAOYSA-N -1 3 280.249 3.564 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CC1(C(F)(F)F)CC1 ZINC000794676016 1123926667 /nfs/dbraw/zinc/92/66/67/1123926667.db2.gz IHKDXZNBTNZSNQ-UBKPWBPPSA-N -1 3 277.673 3.807 20 30 CHEDHM Cc1cccc(CCC/N=C/c2cc(Cl)ccc2[O-])n1 ZINC000794682827 1123926811 /nfs/dbraw/zinc/92/68/11/1123926811.db2.gz XUJDOMRYTXHUPB-WOJGMQOQSA-N -1 3 288.778 3.801 20 30 CHEDHM C=C(C)C[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000864529950 1123933994 /nfs/dbraw/zinc/93/39/94/1123933994.db2.gz PDVXUOHRMACKOC-QMMMGPOBSA-N -1 3 294.203 3.564 20 30 CHEDHM O=C1c2ccccc2CC/C1=C\c1c(F)ccc([O-])c1F ZINC000794927505 1124074730 /nfs/dbraw/zinc/07/47/30/1124074730.db2.gz RODYKDRIDFZZQU-PKNBQFBNSA-N -1 3 286.277 3.883 20 30 CHEDHM CCc1cnccc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794945310 1124094297 /nfs/dbraw/zinc/09/42/97/1124094297.db2.gz IAWYYPRHRYIZDC-HWKANZROSA-N -1 3 289.281 3.524 20 30 CHEDHM O=c1[nH]c2ccccc2cc1-c1ccc2c(c1)CCC2=N[O-] ZINC001238882058 1131263891 /nfs/dbraw/zinc/26/38/91/1131263891.db2.gz MOUJPFFEFRPLGU-JZJYNLBNSA-N -1 3 290.322 3.732 20 30 CHEDHM C=C[C@H](CC)CC(=O)Nc1c([O-])cccc1Cl ZINC000820559777 1131293672 /nfs/dbraw/zinc/29/36/72/1131293672.db2.gz ZARGNPQEAYKMQH-SECBINFHSA-N -1 3 253.729 3.586 20 30 CHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(C#N)cc1 ZINC000213220201 1125359262 /nfs/dbraw/zinc/35/92/62/1125359262.db2.gz FZMIFUNJXKRTKM-AAIQCTMTSA-N -1 3 293.297 3.786 20 30 CHEDHM N#Cc1cc(F)cc(NCc2c([O-])cccc2Cl)c1 ZINC000718616678 1129277150 /nfs/dbraw/zinc/27/71/50/1129277150.db2.gz AAHIKXFXOASGKD-UHFFFAOYSA-N -1 3 276.698 3.668 20 30 CHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CC=CCC1 ZINC000735978707 1129360942 /nfs/dbraw/zinc/36/09/42/1129360942.db2.gz JUVAYBGCNZCJKZ-DGGAMASNSA-N -1 3 280.165 3.682 20 30 CHEDHM C[Si](C)(C)C#Cc1ccc(NCc2ncccc2[O-])cc1 ZINC001169733148 1129753437 /nfs/dbraw/zinc/75/34/37/1129753437.db2.gz PJGKGDGSBRWNAO-UHFFFAOYSA-N -1 3 296.446 3.628 20 30 CHEDHM CC(C)[C@H](C#N)c1ccc(NCc2ncccc2[O-])cc1 ZINC001169731865 1129753677 /nfs/dbraw/zinc/75/36/77/1129753677.db2.gz IQBBJRPRZQWRNA-HNNXBMFYSA-N -1 3 281.359 3.662 20 30 CHEDHM O=C(C1CCCC1)N([O-])Cc1cccc2ccccc21 ZINC000900091798 1129862975 /nfs/dbraw/zinc/86/29/75/1129862975.db2.gz NUXTZGGUXZIALW-UHFFFAOYSA-N -1 3 269.344 3.748 20 30 CHEDHM O=C(C1CC2(CC2)C1)N([O-])Cc1cccc2ccccc21 ZINC000901370804 1129917382 /nfs/dbraw/zinc/91/73/82/1129917382.db2.gz GXZVWJDDBBNGFN-UHFFFAOYSA-N -1 3 281.355 3.748 20 30 CHEDHM C=C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901371440 1129917485 /nfs/dbraw/zinc/91/74/85/1129917485.db2.gz BYRUGMRUVDEIBS-HNNXBMFYSA-N -1 3 299.345 3.903 20 30 CHEDHM CC[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)C(C)C ZINC000901374163 1129918108 /nfs/dbraw/zinc/91/81/08/1129918108.db2.gz FOZPLUSPPZUNFC-CYBMUJFWSA-N -1 3 267.344 3.616 20 30 CHEDHM Cc1scc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000901372412 1129918349 /nfs/dbraw/zinc/91/83/49/1129918349.db2.gz YMGVJNOXHBHGPH-UHFFFAOYSA-N -1 3 279.336 3.536 20 30 CHEDHM CCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379913 1129918846 /nfs/dbraw/zinc/91/88/46/1129918846.db2.gz SBEXQAGZGYPKQR-UHFFFAOYSA-N -1 3 262.136 3.511 20 30 CHEDHM C=CCC[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000901692674 1129944902 /nfs/dbraw/zinc/94/49/02/1129944902.db2.gz OWHKAFMOUNBEKO-LBPRGKRZSA-N -1 3 288.174 3.502 20 30 CHEDHM O=C(OCC#Cc1ccc(F)cc1)c1cc2ccsc2[n-]1 ZINC000771311636 1129976746 /nfs/dbraw/zinc/97/67/46/1129976746.db2.gz JETACKPFGUWJNV-UHFFFAOYSA-N -1 3 299.326 3.577 20 30 CHEDHM C=CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000772243360 1130014439 /nfs/dbraw/zinc/01/44/39/1130014439.db2.gz KIQUNKIDDYTNPN-NSHDSACASA-N -1 3 289.272 3.711 20 30 CHEDHM Cc1cc(C#N)c(-c2cc([O-])cc(C(F)(F)F)c2)nc1C ZINC001242780358 1130038756 /nfs/dbraw/zinc/03/87/56/1130038756.db2.gz PFZRSCZMPIJXGO-UHFFFAOYSA-N -1 3 292.260 3.962 20 30 CHEDHM [O-]/N=C/c1ccc(-c2ccc3[nH]ccc3c2)cc1F ZINC001239695604 1130059638 /nfs/dbraw/zinc/05/96/38/1130059638.db2.gz DVBCPBIAPVAKMT-GIJQJNRQSA-N -1 3 254.264 3.782 20 30 CHEDHM COc1ccc(-c2cc(/C=N/[O-])ccc2F)c(C)c1 ZINC001239827763 1130128664 /nfs/dbraw/zinc/12/86/64/1130128664.db2.gz OWTIFPVQQRIJQD-RQZCQDPDSA-N -1 3 259.280 3.618 20 30 CHEDHM [O-]N=Cc1ccccc1-c1ccc2ncsc2c1 ZINC001240346947 1130273522 /nfs/dbraw/zinc/27/35/22/1130273522.db2.gz APNRGSMYEZMAGP-UHFFFAOYSA-N -1 3 254.314 3.771 20 30 CHEDHM C=CCN(C(=O)c1cc([O-])c2ccccc2c1)C(C)C ZINC000792137844 1130433005 /nfs/dbraw/zinc/43/30/05/1130433005.db2.gz YDZJBUHFXPQIGJ-UHFFFAOYSA-N -1 3 269.344 3.582 20 30 CHEDHM COCOc1cc(C)ccc1-c1cc(/C=N/[O-])ccc1F ZINC001240762895 1130459507 /nfs/dbraw/zinc/45/95/07/1130459507.db2.gz PCUCHZRWMGMBDO-GIJQJNRQSA-N -1 3 289.306 3.592 20 30 CHEDHM [O-]/N=C/c1ccc(-c2ccc3c(c2)CCCO3)cc1F ZINC001240775325 1130467301 /nfs/dbraw/zinc/46/73/01/1130467301.db2.gz WDEXRLCYAIODJM-VCHYOVAHSA-N -1 3 271.291 3.626 20 30 CHEDHM N#Cc1ccc2c(c1)nccc2-c1ccc([O-])c(F)c1 ZINC001240785492 1130468391 /nfs/dbraw/zinc/46/83/91/1130468391.db2.gz BOZUPNDRRMCGHI-UHFFFAOYSA-N -1 3 264.259 3.618 20 30 CHEDHM COc1cc(C(=O)/C=C/C=C\c2ccc(F)cc2)ccc1[O-] ZINC000747695137 1130599629 /nfs/dbraw/zinc/59/96/29/1130599629.db2.gz HJDCDSHOPHFACW-VOERYJCWSA-N -1 3 298.313 3.992 20 30 CHEDHM C=C[C@]1(C)CC[C@H](Oc2cc([O-])cc(C#N)c2)C(C)(C)O1 ZINC001234144560 1130612471 /nfs/dbraw/zinc/61/24/71/1130612471.db2.gz QKIFDUHDIQFDCO-DOTOQJQBSA-N -1 3 287.359 3.545 20 30 CHEDHM CCC(=NOC1CCC1)c1cc(Br)ccc1[O-] ZINC000812235044 1130675072 /nfs/dbraw/zinc/67/50/72/1130675072.db2.gz JEWUZIFOPVKRRV-UHFFFAOYSA-N -1 3 298.180 3.838 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](Oc2nc3ccsc3[n-]2)C(C)(C)O1 ZINC001234848182 1130681126 /nfs/dbraw/zinc/68/11/26/1130681126.db2.gz MUPPKWRSHAOPCU-ABAIWWIYSA-N -1 3 292.404 3.906 20 30 CHEDHM C=C[C@@]1(C)CC[C@@H](Oc2nc3sccc3[n-]2)C(C)(C)O1 ZINC001234848182 1130681129 /nfs/dbraw/zinc/68/11/29/1130681129.db2.gz MUPPKWRSHAOPCU-ABAIWWIYSA-N -1 3 292.404 3.906 20 30 CHEDHM N#Cc1nc(-c2ccc([O-])cc2Cl)ccc1C(F)(F)F ZINC001245081837 1130793728 /nfs/dbraw/zinc/79/37/28/1130793728.db2.gz MSOMEZGVXXQSLX-UHFFFAOYSA-N -1 3 298.651 3.998 20 30 CHEDHM C/C(=N\[O-])c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC001235900023 1130798812 /nfs/dbraw/zinc/79/88/12/1130798812.db2.gz SHQXMNNBFIMEED-VCHYOVAHSA-N -1 3 254.264 3.563 20 30 CHEDHM N#Cc1c(F)cc(-c2cc([O-])cc(Cl)c2)cc1F ZINC001235904036 1130801102 /nfs/dbraw/zinc/80/11/02/1130801102.db2.gz NTMFBSOKTJNBTK-UHFFFAOYSA-N -1 3 265.646 3.862 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCCCS1 ZINC000783682468 1130846729 /nfs/dbraw/zinc/84/67/29/1130846729.db2.gz VUEJNKAGOZJUDA-PWDRSIHYSA-N 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ZINC001233531744 1132632566 /nfs/dbraw/zinc/63/25/66/1132632566.db2.gz WLVBCVPGMAUXDU-QGZVFWFLSA-N -1 3 294.285 3.566 20 30 CHEDHM C=CC[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1 ZINC001233677907 1132662540 /nfs/dbraw/zinc/66/25/40/1132662540.db2.gz PSMOHQXHAWSLFA-KRWDZBQOSA-N -1 3 280.323 3.958 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1OC(C(C)C)C(C)C ZINC001233802024 1132681908 /nfs/dbraw/zinc/68/19/08/1132681908.db2.gz FXVZTLXBJJCNIK-CXUHLZMHSA-N -1 3 265.353 3.563 20 30 CHEDHM C=CC[C@H](CCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801875 1132682090 /nfs/dbraw/zinc/68/20/90/1132682090.db2.gz DIKUEAVYHMLYCY-KWWJGWKXSA-N -1 3 263.337 3.627 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cccc([O-])c2F)O1 ZINC001233873188 1132692550 /nfs/dbraw/zinc/69/25/50/1132692550.db2.gz WOBROWPELGGQQN-CJNGLKHVSA-N -1 3 280.339 3.812 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3ncsc3c2)c1 ZINC001174369341 1132824075 /nfs/dbraw/zinc/82/40/75/1132824075.db2.gz VQQUQAXBFOPRID-UHFFFAOYSA-N -1 3 267.313 3.617 20 30 CHEDHM 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C=C[C@H](C)O[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC001164414538 1133218427 /nfs/dbraw/zinc/21/84/27/1133218427.db2.gz QSJGJYKKLPOODG-ZDUSSCGKSA-N -1 3 271.360 3.637 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3cnccc3c2)c1 ZINC001210048620 1134135880 /nfs/dbraw/zinc/13/58/80/1134135880.db2.gz MWEFXULSBHWIMV-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM Cc1cc([N-]c2snnc2-c2ccccc2)cnc1C#N ZINC001210204135 1134166132 /nfs/dbraw/zinc/16/61/32/1134166132.db2.gz MVWDVXVCWJABCV-UHFFFAOYSA-N -1 3 293.355 3.524 20 30 CHEDHM Cc1coc(Nc2cc([O-])cc(C(F)(F)F)c2)c1C#N ZINC001210824669 1134306255 /nfs/dbraw/zinc/30/62/55/1134306255.db2.gz VYPNOKWYAWKNRK-UHFFFAOYSA-N -1 3 282.221 3.928 20 30 CHEDHM N#Cc1cccc(O)c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210828288 1134306403 /nfs/dbraw/zinc/30/64/03/1134306403.db2.gz RJYBLODTGILUNN-UHFFFAOYSA-N -1 3 294.232 3.732 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccccc2OC2CC2)c1 ZINC001210842283 1134311109 /nfs/dbraw/zinc/31/11/09/1134311109.db2.gz MXKGAGQSUXUXEB-UHFFFAOYSA-N -1 3 266.300 3.549 20 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CYIZIPUZOPPRRK-GFCCVEGCSA-N -1 3 288.343 3.931 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@H]2CCc3cc(Cl)ccc32)c1 ZINC001227349547 1135824264 /nfs/dbraw/zinc/82/42/64/1135824264.db2.gz HQMVDNMZUQLCGH-HNNXBMFYSA-N -1 3 285.730 3.984 20 30 CHEDHM COc1ccc([C@H](C)Oc2cc(C#N)ccc2[O-])c(F)c1 ZINC001227350982 1135824916 /nfs/dbraw/zinc/82/49/16/1135824916.db2.gz RKSIGNJVPMIVKP-JTQLQIEISA-N -1 3 287.290 3.552 20 30 CHEDHM Cc1cc(C(=O)[N-]c2onc(C3CCCCC3)c2C)on1 ZINC000330112190 228041707 /nfs/dbraw/zinc/04/17/07/228041707.db2.gz BRMWJDVZTGELMH-UHFFFAOYSA-N -1 3 289.335 3.963 20 30 CHEDHM C[C@H](C#N)CN(Cc1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000356115583 228126850 /nfs/dbraw/zinc/12/68/50/228126850.db2.gz SSQCGVQBVPQXRI-SNVBAGLBSA-N -1 3 298.308 3.535 20 30 CHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000336163152 228201992 /nfs/dbraw/zinc/20/19/92/228201992.db2.gz JSSORHVBLBFHSZ-UHFFFAOYSA-N -1 3 296.660 3.644 20 30 CHEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCCC2(C)C)cc1[O-] ZINC000331359185 264208853 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ZINC000901373354 1129918282 /nfs/dbraw/zinc/91/82/82/1129918282.db2.gz XBAMIPVGQUAAGE-NSHDSACASA-N -1 3 267.344 3.616 20 30 CHEDHM CC(C)(C#N)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240787032 1130470956 /nfs/dbraw/zinc/47/09/56/1130470956.db2.gz HUEUEXXDERZOKO-UHFFFAOYSA-N -1 3 255.292 3.999 20 30 CHEDHM O=C(CCC(F)F)N([O-])Cc1cccc2ccccc21 ZINC000904171691 1126836946 /nfs/dbraw/zinc/83/69/46/1126836946.db2.gz RHYSWAWJCDWLCT-UHFFFAOYSA-N -1 3 279.286 3.603 20 30 CHEDHM O=C(c1ccoc1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904192945 1126838015 /nfs/dbraw/zinc/83/80/15/1126838015.db2.gz GHUGCPJFQJKDPF-UHFFFAOYSA-N -1 3 291.734 3.842 20 30 CHEDHM CCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000005111181 1127387144 /nfs/dbraw/zinc/38/71/44/1127387144.db2.gz KOMXFUIXWTVKDA-MLHZQLSASA-N -1 3 298.386 3.548 20 30 CHEDHM N#CC1(CC(=O)Nc2cc(Cl)ccc2[O-])CCCCC1 ZINC000597419524 1127544496 /nfs/dbraw/zinc/54/44/96/1127544496.db2.gz HZMWMSYELZFGHR-UHFFFAOYSA-N -1 3 292.766 3.848 20 30 CHEDHM CCc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C(C)C ZINC000601950503 1127553746 /nfs/dbraw/zinc/55/37/46/1127553746.db2.gz VGONQBQMUOJXEI-AWEZNQCLSA-N -1 3 289.766 3.596 20 30 CHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1C ZINC000011298703 1127775939 /nfs/dbraw/zinc/77/59/39/1127775939.db2.gz LHDFWGARGJJEGM-QPJJXVBHSA-N -1 3 298.338 3.614 20 30 CHEDHM C=CCCCCCN(C)C(=O)c1cc(CC)ccc1[O-] ZINC000606933311 1127780355 /nfs/dbraw/zinc/78/03/55/1127780355.db2.gz YSGMYDYPGDDNHH-UHFFFAOYSA-N -1 3 275.392 3.773 20 30 CHEDHM COc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1F ZINC000915111792 1128282811 /nfs/dbraw/zinc/28/28/11/1128282811.db2.gz OUKYKPSWHOXNAA-GIJQJNRQSA-N -1 3 293.725 3.812 20 30 CHEDHM CCCCCCCCOCC(=O)Nc1cccc([O-])c1F ZINC000762317770 1128291313 /nfs/dbraw/zinc/29/13/13/1128291313.db2.gz BGFUGLFMKFYPMB-UHFFFAOYSA-N -1 3 297.370 3.847 20 30 CHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC[C@@H]2CC ZINC001123443846 1128406816 /nfs/dbraw/zinc/40/68/16/1128406816.db2.gz GHCMIAADXUOTHN-UWVGGRQHSA-N -1 3 295.408 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285.303 3.756 20 30 CHEDHM C=CCCCN(CC)C(=O)c1cc(SC)ccc1[O-] ZINC000890808868 1118143111 /nfs/dbraw/zinc/14/31/11/1118143111.db2.gz FWTJEBIDIZPRSN-UHFFFAOYSA-N -1 3 279.405 3.542 20 30 CHEDHM C=C(C)CN(CC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000351730105 1118266833 /nfs/dbraw/zinc/26/68/33/1118266833.db2.gz KHXYPFBVPIVIPZ-UHFFFAOYSA-N -1 3 269.344 3.584 20 30 CHEDHM CC1(C(=O)N([O-])CCCCc2ccccc2)CC=CC1 ZINC001649052035 1118274303 /nfs/dbraw/zinc/27/43/03/1118274303.db2.gz QJLNKIUFHNFDTF-UHFFFAOYSA-N -1 3 273.376 3.583 20 30 CHEDHM CCCCCCN([O-])C(=O)CCCOc1cccc(F)c1 ZINC001649056462 1118283438 /nfs/dbraw/zinc/28/34/38/1118283438.db2.gz ANNIAWFSXNLAFA-UHFFFAOYSA-N -1 3 297.370 3.783 20 30 CHEDHM CCCCCCN([O-])C(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001649056897 1118284389 /nfs/dbraw/zinc/28/43/89/1118284389.db2.gz KLFWUFAEDKZYSM-GFCCVEGCSA-N -1 3 281.400 3.574 20 30 CHEDHM CCCCN([O-])C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC001649061360 1118294925 /nfs/dbraw/zinc/29/49/25/1118294925.db2.gz 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JJYRVESFJUBUBF-VIFPVBQESA-N -1 3 298.268 3.605 20 30 CHEDHM CC[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000072673308 1118606703 /nfs/dbraw/zinc/60/67/03/1118606703.db2.gz JJYRVESFJUBUBF-VIFPVBQESA-N -1 3 298.268 3.605 20 30 CHEDHM CC(=NNc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000728427091 1118927179 /nfs/dbraw/zinc/92/71/79/1118927179.db2.gz ICGMAVVZSMLTOF-UHFFFAOYSA-N -1 3 262.259 3.507 20 30 CHEDHM COc1cc(C)c(C)cc1Nc1cc(C#N)ccc1[O-] ZINC001216376171 1119030884 /nfs/dbraw/zinc/03/08/84/1119030884.db2.gz YGSIQXAEJYJADU-UHFFFAOYSA-N -1 3 268.316 3.633 20 30 CHEDHM COCc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255886350 1119881081 /nfs/dbraw/zinc/88/10/81/1119881081.db2.gz YAVZAMITPMIYMD-UHFFFAOYSA-N -1 3 275.735 3.943 20 30 CHEDHM Cc1sc(Nc2c(F)cc([O-])cc2F)c(C#N)c1C ZINC001175094626 1121184399 /nfs/dbraw/zinc/18/43/99/1121184399.db2.gz KLCPXJFDXZWKPF-UHFFFAOYSA-N -1 3 280.299 3.964 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cc(Cl)ccc2F)c1 ZINC001175300261 1121262123 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CC(=NNc1cccc2ncccc21)c1ccc([O-])c(F)c1 ZINC000728425985 1123815916 /nfs/dbraw/zinc/81/59/16/1123815916.db2.gz RIQAZFOCGPULHD-UHFFFAOYSA-N -1 3 295.317 3.916 20 30 CHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(F)cc1F ZINC000794934710 1124085098 /nfs/dbraw/zinc/08/50/98/1124085098.db2.gz UPDNHWNKVQJWPZ-HWKANZROSA-N -1 3 296.219 3.845 20 30 CHEDHM COc1ccsc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794944311 1124093988 /nfs/dbraw/zinc/09/39/88/1124093988.db2.gz FINIIJFYOKXQOA-DUXPYHPUSA-N -1 3 296.294 3.637 20 30 CHEDHM Cc1cccc2c1C/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794942131 1124094274 /nfs/dbraw/zinc/09/42/74/1124094274.db2.gz INKCXMVNJQVKTL-CSKARUKUSA-N -1 3 286.277 3.801 20 30 CHEDHM Cc1cccn2c(/C=C/C(=O)c3ccc([O-])c(C)c3)cnc12 ZINC000741468295 1129436718 /nfs/dbraw/zinc/43/67/18/1129436718.db2.gz VKXRHZZHHFMGDM-SOFGYWHQSA-N -1 3 292.338 3.553 20 30 CHEDHM COCc1cccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1 ZINC000742435316 1129480146 /nfs/dbraw/zinc/48/01/46/1129480146.db2.gz VQYSLQWTMPJMRU-SOFGYWHQSA-N -1 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C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cc(C#N)ccc2[O-])O1 ZINC001227351850 1135825122 /nfs/dbraw/zinc/82/51/22/1135825122.db2.gz ZCVLWZVFLUABNI-NVXWUHKLSA-N -1 3 287.359 3.545 20 30 CHEDHM N#Cc1ccc(F)c(-c2cc([O-])cc(OC(F)(F)F)c2)c1 ZINC000065344147 175713860 /nfs/dbraw/zinc/71/38/60/175713860.db2.gz PUDRIONLFJUBHE-UHFFFAOYSA-N -1 3 297.207 3.969 20 30 CHEDHM Cc1csc(C(=O)[N-]c2sccc2C#N)c1Cl ZINC000336084539 228185990 /nfs/dbraw/zinc/18/59/90/228185990.db2.gz NEVKTSXNDBAXKB-UHFFFAOYSA-N -1 3 282.777 3.895 20 30 CHEDHM Cc1c(Cl)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000195206758 262248246 /nfs/dbraw/zinc/24/82/46/262248246.db2.gz OXRRUQUPCIUPEG-LBPRGKRZSA-N -1 3 270.719 3.534 20 30 CHEDHM C[C@H](/N=C/c1ccccc1[O-])[C@@H]1OCCc2sccc21 ZINC000292192144 263129322 /nfs/dbraw/zinc/12/93/22/263129322.db2.gz ZBQZGRQRHGYYPY-SZODZYOBSA-N -1 3 287.384 3.575 20 30 CHEDHM CC(C)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c([O-])c1 ZINC000331234900 264174625 /nfs/dbraw/zinc/17/46/25/264174625.db2.gz KUVUSYQXOQOWAW-CQSZACIVSA-N -1 3 274.364 3.758 20 30 CHEDHM CC(C)c1ccc(C(=O)NCC2(C)CCOCC2)c([O-])c1 ZINC000331250934 264181262 /nfs/dbraw/zinc/18/12/62/264181262.db2.gz XBHNOUIWTJPVLA-UHFFFAOYSA-N -1 3 291.391 3.637 20 30 CHEDHM N#Cc1cnccc1/C=C/c1cc([O-])cc(C(F)(F)F)c1 ZINC000357083293 266244289 /nfs/dbraw/zinc/24/42/89/266244289.db2.gz YFPZNUOTJUXIOP-OWOJBTEDSA-N -1 3 290.244 3.848 20 30 CHEDHM CCCCCCC[C@@H](CC(=O)[O-])NCc1ccc(C)o1 ZINC000277207685 328220900 /nfs/dbraw/zinc/22/09/00/328220900.db2.gz GXCTXSLWHIRMJD-AWEZNQCLSA-N -1 3 281.396 3.881 20 30 CHEDHM C=CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CCCC1 ZINC000565025491 327396317 /nfs/dbraw/zinc/39/63/17/327396317.db2.gz TULPCVGFIYPEPW-UHFFFAOYSA-N -1 3 287.359 3.670 20 30 CHEDHM Cc1c2cccc(C)c2oc1C([O-])=C(C#N)c1ccccn1 ZINC000066507130 329848866 /nfs/dbraw/zinc/84/88/66/329848866.db2.gz ZFVGJJPROOELRP-CQSZACIVSA-N -1 3 290.322 3.935 20 30 CHEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(C)cc1[O-] ZINC000436543509 330679670 /nfs/dbraw/zinc/67/96/70/330679670.db2.gz LUESFROMOSMNDS-UHFFFAOYSA-N -1 3 287.403 3.909 20 30 CHEDHM C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000443063881 330793489 /nfs/dbraw/zinc/79/34/89/330793489.db2.gz NYKUVHUAKXWLKC-CQSZACIVSA-N -1 3 267.756 3.895 20 30 CHEDHM C=CCCc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000504289792 332707674 /nfs/dbraw/zinc/70/76/74/332707674.db2.gz OZUITWWKRTVZER-UHFFFAOYSA-N -1 3 267.328 3.763 20 30 CHEDHM CCC(C#N)(CC)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000528909342 333463987 /nfs/dbraw/zinc/46/39/87/333463987.db2.gz VHWFLCGKJWYMGK-UHFFFAOYSA-N -1 3 280.755 3.623 20 30 CHEDHM CCCN(Cc1ccc(C#N)cc1)Cc1cc([O-])cc(F)c1 ZINC000352012419 528133448 /nfs/dbraw/zinc/13/34/48/528133448.db2.gz ZINARZLRMVOZKE-UHFFFAOYSA-N -1 3 298.361 3.815 20 30 CHEDHM C#CCCCCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC001573282632 946695258 /nfs/dbraw/zinc/69/52/58/946695258.db2.gz LWACYZXHLIJMBR-UHFFFAOYSA-N -1 3 286.404 3.543 20 30 CHEDHM C#CCCCCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC001573282632 946695266 /nfs/dbraw/zinc/69/52/66/946695266.db2.gz LWACYZXHLIJMBR-UHFFFAOYSA-N -1 3 286.404 3.543 20 30 CHEDHM C=CCC[C@H](CCC)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573333775 947443007 /nfs/dbraw/zinc/44/30/07/947443007.db2.gz FAEWYGBIRFXRCM-ZDUSSCGKSA-N -1 3 289.358 3.553 20 30 CHEDHM C=CCC[C@H](CCC)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573333775 947443016 /nfs/dbraw/zinc/44/30/16/947443016.db2.gz FAEWYGBIRFXRCM-ZDUSSCGKSA-N -1 3 289.358 3.553 20 30 CHEDHM C=CCCCCCN(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001573367109 963064428 /nfs/dbraw/zinc/06/44/28/963064428.db2.gz RWIAURJORJHYMZ-ZHACJKMWSA-N -1 3 277.364 3.556 20 30 CHEDHM C=CCCC(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000709390924 1120555809 /nfs/dbraw/zinc/55/58/09/1120555809.db2.gz NSKATSPIUDSEFT-UHFFFAOYSA-N -1 3 281.783 3.768 20 30 CHEDHM O=C(c1ccc(Cl)s1)N([O-])Cc1ccc(F)cc1 ZINC000899895089 1126709016 /nfs/dbraw/zinc/70/90/16/1126709016.db2.gz IRNQUASIYXTSGM-UHFFFAOYSA-N -1 3 285.727 3.572 20 30 CHEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)ccn1C(C)C ZINC000904177927 1126837387 /nfs/dbraw/zinc/83/73/87/1126837387.db2.gz TULRUINZYYFAGE-UHFFFAOYSA-N -1 3 290.338 3.548 20 30 CHEDHM CCCCCCN([O-])C(=O)CCCC(F)(F)F ZINC000904204313 1126837784 /nfs/dbraw/zinc/83/77/84/1126837784.db2.gz JRHGOBQSSCERHI-UHFFFAOYSA-N -1 3 255.280 3.517 20 30 CHEDHM CCCCCCN([O-])C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000904205003 1126838429 /nfs/dbraw/zinc/83/84/29/1126838429.db2.gz XJMRESOWUBHEKQ-UHFFFAOYSA-N -1 3 296.411 3.703 20 30 CHEDHM Cc1nc(C)c(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)o1 ZINC000905070666 1126889697 /nfs/dbraw/zinc/88/96/97/1126889697.db2.gz MOJNTFURYNCBDE-FSEMZKDTSA-N -1 3 287.290 3.520 20 30 CHEDHM C#C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237083393 1131047815 /nfs/dbraw/zinc/04/78/15/1131047815.db2.gz CMIPVBMVRFEBEP-SNVBAGLBSA-N -1 3 284.186 3.544 20 30 CHEDHM CCC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354458643 1127309090 /nfs/dbraw/zinc/30/90/90/1127309090.db2.gz CCKQRPJFFJWNSQ-OAHLLOKOSA-N -1 3 293.370 3.654 20 30 CHEDHM N#CC(=C([O-])C=Cc1ccccc1Cl)c1ccccn1 ZINC000046439854 1127401113 /nfs/dbraw/zinc/40/11/13/1127401113.db2.gz PORFOAZFWOUCDS-XEHSLEBBSA-N -1 3 282.730 3.625 20 30 CHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc2c(c1)CCO2 ZINC000914557699 1128208404 /nfs/dbraw/zinc/20/84/04/1128208404.db2.gz WEVQSVNHFKDVQY-UHFFFAOYSA-N -1 3 273.719 3.731 20 30 CHEDHM Cc1cc(C(=O)/C=C/c2ccc(F)cc2)ccc1[O-] ZINC000035326388 1128284321 /nfs/dbraw/zinc/28/43/21/1128284321.db2.gz FLEXIXWMROKGLV-XBXARRHUSA-N -1 3 256.276 3.736 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccc(Cl)nc1 ZINC000155034853 1128618106 /nfs/dbraw/zinc/61/81/06/1128618106.db2.gz IYTLWNYQJSOSDA-RQZCQDPDSA-N -1 3 295.169 3.756 20 30 CHEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)ccc1[O-] ZINC000728230245 1118050727 /nfs/dbraw/zinc/05/07/27/1118050727.db2.gz CFDVWIXRQHSTQF-SOFGYWHQSA-N -1 3 284.359 3.617 20 30 CHEDHM COc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231627 1118055792 /nfs/dbraw/zinc/05/57/92/1118055792.db2.gz MISCMSIFZVXAJQ-VURMDHGXSA-N -1 3 268.312 3.605 20 30 CHEDHM COc1ccc(C)cc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000728232972 1118063543 /nfs/dbraw/zinc/06/35/43/1118063543.db2.gz ZEPAXBUKVVVQHA-SOFGYWHQSA-N -1 3 282.339 3.914 20 30 CHEDHM CC(=NNc1ccc(F)cc1C)c1ccc([O-])cc1F ZINC000750938326 1118097667 /nfs/dbraw/zinc/09/76/67/1118097667.db2.gz FQFMDPWDOQTZHL-UHFFFAOYSA-N -1 3 276.286 3.815 20 30 CHEDHM CCC(=NNc1ccc(C#N)cc1)c1ccc([O-])c(F)c1 ZINC000764683854 1118107435 /nfs/dbraw/zinc/10/74/35/1118107435.db2.gz UWKJEIPNUHCPEO-UHFFFAOYSA-N -1 3 283.306 3.629 20 30 CHEDHM CCCCCCN([O-])C(=O)c1nc(C(C)C)ncc1Cl ZINC001649057351 1118283878 /nfs/dbraw/zinc/28/38/78/1118283878.db2.gz WXDZDRMIOVZQGZ-UHFFFAOYSA-N -1 3 299.802 3.665 20 30 CHEDHM Cc1cc([N-]c2nc(C(C)(C)C)ns2)ccc1C#N ZINC001210803896 1118399817 /nfs/dbraw/zinc/39/98/17/1118399817.db2.gz YRTHUDRBGHXVEE-UHFFFAOYSA-N -1 3 272.377 3.759 20 30 CHEDHM N#Cc1cc(NCc2c(F)ccc([O-])c2F)ccc1Cl ZINC000583905012 1119432093 /nfs/dbraw/zinc/43/20/93/1119432093.db2.gz YUXHYHXTILTDSN-UHFFFAOYSA-N -1 3 294.688 3.808 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C3CC3)cc2)n1 ZINC000659010684 1119989332 /nfs/dbraw/zinc/98/93/32/1119989332.db2.gz WLLQNGCBCUGOIB-AWEZNQCLSA-N -1 3 282.368 3.819 20 30 CHEDHM CC(C)Oc1cccc(-c2ccccc2C=N[O-])c1 ZINC001239972224 1120222731 /nfs/dbraw/zinc/22/27/31/1120222731.db2.gz QIWAPTCYEDPQDJ-UHFFFAOYSA-N -1 3 255.317 3.949 20 30 CHEDHM N#Cc1ccc(F)c(F)c1Nc1cc(F)cc(F)c1[O-] ZINC001212491146 1120378519 /nfs/dbraw/zinc/37/85/19/1120378519.db2.gz KMYUXZICARYWII-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM Cc1cc(C#N)c(Nc2cc(F)cc(F)c2[O-])cc1F ZINC001212493302 1120383418 /nfs/dbraw/zinc/38/34/18/1120383418.db2.gz YVUXTGGVUKWZFI-UHFFFAOYSA-N -1 3 278.233 3.733 20 30 CHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000417634908 1120466843 /nfs/dbraw/zinc/46/68/43/1120466843.db2.gz ZGAYPYSTYFYWHQ-NSHDSACASA-N -1 3 288.174 3.502 20 30 CHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(-c2ccc(C)cc2)o1 ZINC000417628354 1120467779 /nfs/dbraw/zinc/46/77/79/1120467779.db2.gz QWAKWYIHZZIVNK-OAHLLOKOSA-N -1 3 299.370 3.764 20 30 CHEDHM Cc1cc(C#N)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001175099396 1121163104 /nfs/dbraw/zinc/16/31/04/1121163104.db2.gz DYKQZOMJDDIKGX-UHFFFAOYSA-N -1 3 278.233 3.733 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3ccncc3c2)c1 ZINC001175707737 1121450306 /nfs/dbraw/zinc/45/03/06/1121450306.db2.gz YFVFYRZTJCICBX-UHFFFAOYSA-N -1 3 261.284 3.556 20 30 CHEDHM CC(=NNc1cccc(F)c1)c1ccc([O-])cc1F ZINC000729933304 1121784824 /nfs/dbraw/zinc/78/48/24/1121784824.db2.gz WWLDPWQSGWMHMM-UHFFFAOYSA-N -1 3 262.259 3.507 20 30 CHEDHM CC(=NNc1cccc(C)c1)c1ccc([O-])cc1F ZINC000729931759 1121784981 /nfs/dbraw/zinc/78/49/81/1121784981.db2.gz VQNSQCMYADVPRW-UHFFFAOYSA-N -1 3 258.296 3.676 20 30 CHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(Cl)o3)nc21 ZINC000345371434 1121877218 /nfs/dbraw/zinc/87/72/18/1121877218.db2.gz JXVKWMVCFYREDS-SECBINFHSA-N -1 3 299.717 3.608 20 30 CHEDHM C=CCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC001249954838 1121953301 /nfs/dbraw/zinc/95/33/01/1121953301.db2.gz WFHFFLKPWBEIPM-UHFFFAOYSA-N -1 3 287.384 3.524 20 30 CHEDHM CC#CCCCCCCCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001182769663 1122189189 /nfs/dbraw/zinc/18/91/89/1122189189.db2.gz PEMWKQISRQQOIG-UHFFFAOYSA-N -1 3 298.386 3.956 20 30 CHEDHM Cc1cc(Cl)cc(C=NOCc2ccccc2)c1[O-] ZINC000774590839 1122208183 /nfs/dbraw/zinc/20/81/83/1122208183.db2.gz YVSSTDTZHAZTSK-UHFFFAOYSA-N -1 3 275.735 3.905 20 30 CHEDHM N#Cc1cc(NC(=O)CCCC2CCCCC2)ccc1[O-] ZINC001184224242 1122262288 /nfs/dbraw/zinc/26/22/88/1122262288.db2.gz HEIQCWBWCBAEEU-UHFFFAOYSA-N -1 3 286.375 3.953 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](C)Cc1ccccc1F ZINC001184305333 1122266478 /nfs/dbraw/zinc/26/64/78/1122266478.db2.gz GUJIGSPZMAHQAR-CYBMUJFWSA-N -1 3 281.371 3.802 20 30 CHEDHM CCCCCCN([O-])C(=O)CC[C@H]1CC1(Cl)Cl ZINC001184315429 1122268771 /nfs/dbraw/zinc/26/87/71/1122268771.db2.gz ZANMDOQAPQTTBE-JTQLQIEISA-N -1 3 282.211 3.759 20 30 CHEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)ccc1C ZINC000193125484 1129054976 /nfs/dbraw/zinc/05/49/76/1129054976.db2.gz HKFHPYVNJBPVJB-SOFGYWHQSA-N -1 3 298.338 3.614 20 30 CHEDHM CC(C)(C)c1cccc(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001188984293 1122483923 /nfs/dbraw/zinc/48/39/23/1122483923.db2.gz VXWJFIWAYAPYQM-UHFFFAOYSA-N -1 3 294.354 3.814 20 30 CHEDHM [O-]/N=C(/c1ccccc1)[C@H](OC1CC1)c1ccccc1 ZINC001205468178 1122517447 /nfs/dbraw/zinc/51/74/47/1122517447.db2.gz HCCCPVROELYATH-FXBHHXAOSA-N -1 3 267.328 3.785 20 30 CHEDHM CCCCCCCNC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001191106667 1122572224 /nfs/dbraw/zinc/57/22/24/1122572224.db2.gz KLFZSAJTPAVYKN-UHFFFAOYSA-N -1 3 292.379 3.687 20 30 CHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc3sccc3c2)o1 ZINC001192426911 1122643552 /nfs/dbraw/zinc/64/35/52/1122643552.db2.gz PSNHLVRCFBFCAV-UHFFFAOYSA-N -1 3 298.327 3.713 20 30 CHEDHM CCCc1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000633899223 1129093349 /nfs/dbraw/zinc/09/33/49/1129093349.db2.gz FDARLPRTEQJLFB-LBPRGKRZSA-N -1 3 270.357 3.586 20 30 CHEDHM N#Cc1c(Cl)c(Cl)ccc1Nc1cncc([O-])c1 ZINC001201647037 1123136059 /nfs/dbraw/zinc/13/60/59/1123136059.db2.gz ZGJBAIKFMJOXQJ-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc(C3CC3)cc2)c1 ZINC001201684848 1123142514 /nfs/dbraw/zinc/14/25/14/1123142514.db2.gz RLEAMINCHXZCLQ-UHFFFAOYSA-N -1 3 250.301 3.885 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccsc1 ZINC000007333215 1123248964 /nfs/dbraw/zinc/24/89/64/1123248964.db2.gz UDSNDMCCOYHLJM-VSBFRKNKSA-N -1 3 274.316 3.976 20 30 CHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2sccc2c([O-])c1 ZINC000856199148 1123550943 /nfs/dbraw/zinc/55/09/43/1123550943.db2.gz MZMSTZBAGNCRSA-BETUJISGSA-N -1 3 299.395 3.930 20 30 CHEDHM C=CC[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000862545003 1123817868 /nfs/dbraw/zinc/81/78/68/1123817868.db2.gz FNDRNYALRIPSJP-ZDUSSCGKSA-N -1 3 281.355 3.584 20 30 CHEDHM C[C@H]1SCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863125487 1123846291 /nfs/dbraw/zinc/84/62/91/1123846291.db2.gz XNFYAEFMMKXPTE-MRVPVSSYSA-N -1 3 290.417 3.586 20 30 CHEDHM C=C(C)C[C@@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000864529949 1123933572 /nfs/dbraw/zinc/93/35/72/1123933572.db2.gz PDVXUOHRMACKOC-MRVPVSSYSA-N -1 3 294.203 3.564 20 30 CHEDHM CCc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)o1 ZINC000794941144 1124093668 /nfs/dbraw/zinc/09/36/68/1124093668.db2.gz JEJOJXNAXUZGHB-XQRVVYSFSA-N -1 3 278.254 3.722 20 30 CHEDHM Cc1ccc(S[C@H](C)c2nc(C)cc(=O)[n-]2)c(C#N)c1 ZINC000871687045 1124625773 /nfs/dbraw/zinc/62/57/73/1124625773.db2.gz QHJORTYUDNFGGV-LLVKDONJSA-N -1 3 285.372 3.524 20 30 CHEDHM COc1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1C ZINC001238994851 1131288298 /nfs/dbraw/zinc/28/82/98/1131288298.db2.gz FCIUSSRBRLYVQT-RQZCQDPDSA-N -1 3 259.280 3.618 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCCC2)C1 ZINC000128485545 1125280396 /nfs/dbraw/zinc/28/03/96/1125280396.db2.gz NESDHCBHTFOACY-BGARDKSCSA-N -1 3 293.794 3.956 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccsc1 ZINC000213220548 1125358940 /nfs/dbraw/zinc/35/89/40/1125358940.db2.gz UDSNDMCCOYHLJM-NDVARNPJSA-N -1 3 274.316 3.976 20 30 CHEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])c1ccncc1 ZINC000131238746 1125378747 /nfs/dbraw/zinc/37/87/47/1125378747.db2.gz NTCQKQJZEUNANQ-VXLYETTFSA-N -1 3 288.778 3.837 20 30 CHEDHM CC(=NNc1cc(F)c(F)cc1F)c1cc(F)ccc1[O-] ZINC000734301799 1129300488 /nfs/dbraw/zinc/30/04/88/1129300488.db2.gz PUWBFUYSICWPAA-UHFFFAOYSA-N -1 3 298.239 3.785 20 30 CHEDHM N#Cc1ccc(F)c(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000743043224 1129511465 /nfs/dbraw/zinc/51/14/65/1129511465.db2.gz UJOZRPCVWVSYQB-DJKKODMXSA-N -1 3 288.709 3.675 20 30 CHEDHM Cc1ccccc1[C@H](O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000304066848 1129584143 /nfs/dbraw/zinc/58/41/43/1129584143.db2.gz UETCRYOUCAGMPE-TWIVVOHQSA-N -1 3 289.762 3.507 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCCC12CCOCC2 ZINC000800722157 1129886158 /nfs/dbraw/zinc/88/61/58/1129886158.db2.gz XGNXNAPHXGWYPB-JQFNYASXSA-N -1 3 293.794 3.814 20 30 CHEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1Cl ZINC000901375164 1129918208 /nfs/dbraw/zinc/91/82/08/1129918208.db2.gz DTZCVZRDFMVDKQ-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM C/C(=C/C(=O)N([O-])Cc1ccc(F)cc1)C(C)(C)C ZINC000901372739 1129918215 /nfs/dbraw/zinc/91/82/15/1129918215.db2.gz KUPUGJHPVJHBHT-LUAWRHEFSA-N -1 3 265.328 3.536 20 30 CHEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(c2ccccc2)CCC1 ZINC000901375909 1129918243 /nfs/dbraw/zinc/91/82/43/1129918243.db2.gz NKEGXRWYMSRLBB-UHFFFAOYSA-N -1 3 299.345 3.665 20 30 CHEDHM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901372553 1129918286 /nfs/dbraw/zinc/91/82/86/1129918286.db2.gz GTBIQADNXHLOOW-PBZHRCKQSA-N -1 3 295.382 3.850 20 30 CHEDHM O=C(c1sccc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000901378715 1129918960 /nfs/dbraw/zinc/91/89/60/1129918960.db2.gz KCRAUHDOCUXBQK-UHFFFAOYSA-N -1 3 291.347 3.796 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc2c(c1)COC2 ZINC000769774228 1129923154 /nfs/dbraw/zinc/92/31/54/1129923154.db2.gz OZDSJPBVZOOPBN-QGMBQPNBSA-N -1 3 287.746 3.695 20 30 CHEDHM COc1cc(/C=C/C(=O)c2ccco2)cc(Cl)c1[O-] ZINC000769772355 1129923161 /nfs/dbraw/zinc/92/31/61/1129923161.db2.gz XWKKSZYRCUHEQA-SNAWJCMRSA-N -1 3 278.691 3.543 20 30 CHEDHM CCCCCCCCCN(C)C(=O)c1c([O-])cccc1O ZINC000770402188 1129945828 /nfs/dbraw/zinc/94/58/28/1129945828.db2.gz UJKOTGXJGQSJIB-UHFFFAOYSA-N -1 3 293.407 3.920 20 30 CHEDHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1ccc(C#N)cc1 ZINC000786030079 1130073705 /nfs/dbraw/zinc/07/37/05/1130073705.db2.gz BOVNWQKNALRNTL-JTQLQIEISA-N -1 3 280.283 3.551 20 30 CHEDHM CC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000787141379 1130132047 /nfs/dbraw/zinc/13/20/47/1130132047.db2.gz MKZUVOLTTJDRGV-JIURPICXSA-N -1 3 265.662 3.805 20 30 CHEDHM C=C[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000787311679 1130147094 /nfs/dbraw/zinc/14/70/94/1130147094.db2.gz YDVMYDJKIRETRA-JTQLQIEISA-N -1 3 269.747 3.725 20 30 CHEDHM [O-]/N=C/c1ccc(-c2cncc3ccccc32)cc1F ZINC001239948886 1130166693 /nfs/dbraw/zinc/16/66/93/1130166693.db2.gz JPSISZJKPXBXON-DJKKODMXSA-N -1 3 266.275 3.849 20 30 CHEDHM Cc1ccc(F)c(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001239966119 1130175950 /nfs/dbraw/zinc/17/59/50/1130175950.db2.gz NBTNJIGLCGRASF-VLGSPTGOSA-N -1 3 255.292 3.926 20 30 CHEDHM [O-]N=Cc1ccccc1-c1ccc(N2CCCC2)cc1 ZINC001240592457 1130376636 /nfs/dbraw/zinc/37/66/36/1130376636.db2.gz IJMQCHGHWTVDBU-UHFFFAOYSA-N -1 3 266.344 3.762 20 30 CHEDHM N#CCc1c[nH]c2cccc(-c3ccc([O-])c(F)c3)c12 ZINC001240787559 1130471842 /nfs/dbraw/zinc/47/18/42/1130471842.db2.gz LCZFBFUEAGJHEE-UHFFFAOYSA-N -1 3 266.275 3.746 20 30 CHEDHM [O-]c1cccc(Cl)c1C=NNc1cccc(Cl)n1 ZINC000793174880 1130527689 /nfs/dbraw/zinc/52/76/89/1130527689.db2.gz NNNUCAIPYSZQBF-UHFFFAOYSA-N -1 3 282.130 3.540 20 30 CHEDHM CC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811184270 1130593334 /nfs/dbraw/zinc/59/33/34/1130593334.db2.gz LDLSDJRJOOKGFH-INIZCTEOSA-N -1 3 281.311 3.572 20 30 CHEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccc(F)c1F ZINC001234144265 1130610947 /nfs/dbraw/zinc/61/09/47/1130610947.db2.gz MFNBCXLEKAKAFB-SECBINFHSA-N -1 3 275.254 3.682 20 30 CHEDHM COc1ccc([C@H](C)Oc2cc([O-])cc(C#N)c2)c(F)c1 ZINC001234143693 1130611313 /nfs/dbraw/zinc/61/13/13/1130611313.db2.gz GJOMTVMMMKXUTR-JTQLQIEISA-N -1 3 287.290 3.552 20 30 CHEDHM N#Cc1cc([O-])cc(O[C@@H](c2ccccc2)C2CC2)c1 ZINC001234140883 1130611317 /nfs/dbraw/zinc/61/13/17/1130611317.db2.gz LDAHMTYGPFCTBM-KRWDZBQOSA-N -1 3 265.312 3.794 20 30 CHEDHM Cc1cccc2c1CC[C@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234138554 1130611494 /nfs/dbraw/zinc/61/14/94/1130611494.db2.gz ANCQLIUITJPYLX-QGZVFWFLSA-N -1 3 265.312 3.639 20 30 CHEDHM CC#CC[C@@H](CC)Oc1c([O-])cc(Cl)cc1F ZINC001234443490 1130644642 /nfs/dbraw/zinc/64/46/42/1130644642.db2.gz HJYCJYDLTQSYDR-SNVBAGLBSA-N -1 3 256.704 3.756 20 30 CHEDHM Cc1c(C#N)cccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244816349 1130643531 /nfs/dbraw/zinc/64/35/31/1130643531.db2.gz GZWUHEMOMUFOQT-UHFFFAOYSA-N -1 3 295.289 3.631 20 30 CHEDHM C=C[C@H](CCC)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234693274 1130673674 /nfs/dbraw/zinc/67/36/74/1130673674.db2.gz VPUSGJSDEXSGPO-CYBMUJFWSA-N -1 3 270.332 3.583 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc3ccsc3[n-]2)O1 ZINC001234846928 1130681663 /nfs/dbraw/zinc/68/16/63/1130681663.db2.gz FAZBAPDSCLIYHL-ABAIWWIYSA-N -1 3 292.404 3.906 20 30 CHEDHM C#C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000812444856 1130691146 /nfs/dbraw/zinc/69/11/46/1130691146.db2.gz HNQSLBIUTPVDSP-HNIBHBHRSA-N -1 3 287.721 3.978 20 30 CHEDHM C#C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000812444857 1130691199 /nfs/dbraw/zinc/69/11/99/1130691199.db2.gz HNQSLBIUTPVDSP-RPJLVFAOSA-N -1 3 287.721 3.978 20 30 CHEDHM COc1nc(C)c(-c2cc(Cl)ccc2[O-])c(C)c1C#N ZINC001245050440 1130773857 /nfs/dbraw/zinc/77/38/57/1130773857.db2.gz HWHRZXOLKCTQOD-UHFFFAOYSA-N -1 3 288.734 3.605 20 30 CHEDHM CC(C)C(=O)Nc1ccc(-c2ccccc2C=N[O-])cc1 ZINC001236271034 1130909575 /nfs/dbraw/zinc/90/95/75/1130909575.db2.gz GGQWYBUTVIGQKU-UHFFFAOYSA-N -1 3 282.343 3.756 20 30 CHEDHM N#C[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236796512 1131009837 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N#Cc1cc(Nc2cccc(Cl)c2F)ccc1[O-] ZINC001203037871 1131744674 /nfs/dbraw/zinc/74/46/74/1131744674.db2.gz SCMVNJMDFZNSQI-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM C#C[C@H](C)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228125703 1131813699 /nfs/dbraw/zinc/81/36/99/1131813699.db2.gz SZYWQMAMKVLMDW-AWEZNQCLSA-N -1 3 292.338 3.898 20 30 CHEDHM C#C[C@@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])C(C)C ZINC001228153245 1131818473 /nfs/dbraw/zinc/81/84/73/1131818473.db2.gz CFUKFKMFHYYSRQ-QGZVFWFLSA-N -1 3 294.350 3.660 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228695316 1131934987 /nfs/dbraw/zinc/93/49/87/1131934987.db2.gz MWADLIWRGHYCNG-ZFWWWQNUSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228695316 1131934991 /nfs/dbraw/zinc/93/49/91/1131934991.db2.gz MWADLIWRGHYCNG-ZFWWWQNUSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228695316 1131934994 /nfs/dbraw/zinc/93/49/94/1131934994.db2.gz MWADLIWRGHYCNG-ZFWWWQNUSA-N -1 3 296.374 3.547 20 30 CHEDHM C=CCO[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001140879895 1131956569 /nfs/dbraw/zinc/95/65/69/1131956569.db2.gz SPYHEODNJPDFMP-UHFFFAOYSA-N -1 3 287.359 3.641 20 30 CHEDHM N#CC[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1 ZINC001228854574 1131966089 /nfs/dbraw/zinc/96/60/89/1131966089.db2.gz SVONHYKLJMACNC-QGZVFWFLSA-N -1 3 293.322 3.555 20 30 CHEDHM C=C[C@@H](CCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228856214 1131968471 /nfs/dbraw/zinc/96/84/71/1131968471.db2.gz ZMQCRUDBGDYTDT-LBPRGKRZSA-N -1 3 260.333 3.645 20 30 CHEDHM C#C[C@@H](Oc1cc([O-])c(C(C)C)cc1C(C)=O)C(C)C ZINC001228959922 1131986814 /nfs/dbraw/zinc/98/68/14/1131986814.db2.gz PNWAVLQKZXUUAY-MRXNPFEDSA-N -1 3 274.360 3.755 20 30 CHEDHM C=C[C@@H](CCC)Oc1cccc([O-])c1Br ZINC001229141595 1132027096 /nfs/dbraw/zinc/02/70/96/1132027096.db2.gz KYNPIKLVMYMZSV-VIFPVBQESA-N -1 3 271.154 3.888 20 30 CHEDHM C/C(=N\[O-])c1ccccc1O[C@H]1CCc2ccccc2C1 ZINC001229736929 1132112435 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C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231117389 1132258994 /nfs/dbraw/zinc/25/89/94/1132258994.db2.gz AEPYNGVCPVJXTF-CZUORRHYSA-N -1 3 296.374 3.547 20 30 CHEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231117389 1132259000 /nfs/dbraw/zinc/25/90/00/1132259000.db2.gz AEPYNGVCPVJXTF-CZUORRHYSA-N -1 3 296.374 3.547 20 30 CHEDHM CC[C@H](C)[C@H](C/N=C/c1cc(Cl)ccc1[O-])OC ZINC000840705579 1132272040 /nfs/dbraw/zinc/27/20/40/1132272040.db2.gz FCEJBRIOBQBVLJ-XWKQBCLZSA-N -1 3 269.772 3.526 20 30 CHEDHM CC1(C)C[C@H](C/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000840711614 1132274686 /nfs/dbraw/zinc/27/46/86/1132274686.db2.gz XZCKYWPMQIWDMB-JDAJCMJVSA-N -1 3 281.783 3.670 20 30 CHEDHM COc1cc(C(=O)/C=C/c2ccc(F)c(C)c2)ccc1[O-] ZINC000103717331 1132377989 /nfs/dbraw/zinc/37/79/89/1132377989.db2.gz PDEFQYGGIUKOGU-QPJJXVBHSA-N -1 3 286.302 3.744 20 30 CHEDHM CCCCCCCCCC(=O)Nc1ncccc1[O-] ZINC001154068471 1132607915 /nfs/dbraw/zinc/60/79/15/1132607915.db2.gz YLEDASZGKPHOQN-UHFFFAOYSA-N -1 3 264.369 3.866 20 30 CHEDHM N#CC[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418537 1132621461 /nfs/dbraw/zinc/62/14/61/1132621461.db2.gz LBFBESJKJJPSML-LLVKDONJSA-N -1 3 298.308 3.537 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)CCC(C)C ZINC001233803315 1132681273 /nfs/dbraw/zinc/68/12/73/1132681273.db2.gz NXTFZLAFISDIGC-SEJMYLSOSA-N -1 3 265.353 3.707 20 30 CHEDHM C=C[C@]1(C)CC[C@H](Oc2cccc([O-])c2F)C(C)(C)O1 ZINC001233870551 1132690888 /nfs/dbraw/zinc/69/08/88/1132690888.db2.gz FPAQCGOVPSFYIS-XJKSGUPXSA-N -1 3 280.339 3.812 20 30 CHEDHM COc1ccc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001174155545 1132751032 /nfs/dbraw/zinc/75/10/32/1132751032.db2.gz USQRRKZNACXWPP-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2cccc(N3CCCC3)c2)c1 ZINC001174487758 1132858976 /nfs/dbraw/zinc/85/89/76/1132858976.db2.gz OPNJAQORYZRGBI-UHFFFAOYSA-N -1 3 279.343 3.608 20 30 CHEDHM C=C[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1 ZINC001160321244 1132961589 /nfs/dbraw/zinc/96/15/89/1132961589.db2.gz MBPGPMVAPRIZRA-CQSZACIVSA-N -1 3 295.338 3.503 20 30 CHEDHM N#Cc1cc(Nc2ccc([O-])c(C(F)(F)F)c2)ccc1O ZINC001209986088 1134117006 /nfs/dbraw/zinc/11/70/06/1134117006.db2.gz VDGXDODJKOYYSE-UHFFFAOYSA-N -1 3 294.232 3.732 20 30 CHEDHM N#Cc1ccc(Nc2ccc(F)cc2[O-])c2cccnc12 ZINC001210021319 1134125219 /nfs/dbraw/zinc/12/52/19/1134125219.db2.gz ZLKGCIFQRANUGX-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM N#Cc1cc(Cl)ccc1Nc1cccc(F)c1[O-] ZINC001210198108 1134164651 /nfs/dbraw/zinc/16/46/51/1134164651.db2.gz LKPRJRPRQCWKOD-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1cc(Nc2c(F)c(F)cc(F)c2F)ccc1[O-] ZINC001210529024 1134240825 /nfs/dbraw/zinc/24/08/25/1134240825.db2.gz FATAEKOTHUJZSY-UHFFFAOYSA-N -1 3 282.196 3.564 20 30 CHEDHM N#Cc1cc(F)ccc1Nc1cnc2cccc([O-])c2c1 ZINC001210549676 1134245015 /nfs/dbraw/zinc/24/50/15/1134245015.db2.gz AHOMFYJKXNAXMI-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM Cc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C#N)c1 ZINC001210565533 1134250239 /nfs/dbraw/zinc/25/02/39/1134250239.db2.gz CWABJWFHDMBYPK-UHFFFAOYSA-N -1 3 290.326 3.502 20 30 CHEDHM C[C@H]1CC(=O)C=C(Nc2cc(Cl)c([O-])cc2Cl)C1 ZINC001210777073 1134293950 /nfs/dbraw/zinc/29/39/50/1134293950.db2.gz UVKBFGVKESJHSC-SSDOTTSWSA-N -1 3 286.158 3.994 20 30 CHEDHM CC#Cc1cncc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001211054573 1134358009 /nfs/dbraw/zinc/35/80/09/1134358009.db2.gz YIEUAQKKHQEEPR-UHFFFAOYSA-N -1 3 281.340 3.512 20 30 CHEDHM CSc1ncc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001216028553 1134753686 /nfs/dbraw/zinc/75/36/86/1134753686.db2.gz GSMXEOUKANOLOD-UHFFFAOYSA-N -1 3 291.763 3.778 20 30 CHEDHM Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1C#N ZINC001216076251 1134767189 /nfs/dbraw/zinc/76/71/89/1134767189.db2.gz SWQYXYHKCJTSJC-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2c(Cl)ccnc2Cl)c1 ZINC001216303626 1134842514 /nfs/dbraw/zinc/84/25/14/1134842514.db2.gz TXIMJGQLAMVGLA-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM Cc1nsc([N-]c2c(Cl)ccnc2Cl)c1C#N ZINC001216301010 1134843352 /nfs/dbraw/zinc/84/33/52/1134843352.db2.gz XQLPREMJJBLDKC-UHFFFAOYSA-N -1 3 285.159 3.769 20 30 CHEDHM N#Cc1ccc(F)c(Nc2cc(Cl)ccc2[O-])c1 ZINC001216400928 1134883676 /nfs/dbraw/zinc/88/36/76/1134883676.db2.gz HSNRDMLJYPFEMB-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM CCc1ccc([O-])c(-c2nc(-c3cccc(C#N)c3)no2)c1 ZINC001216967307 1134955681 /nfs/dbraw/zinc/95/56/81/1134955681.db2.gz WCXLATWXQHOBMY-UHFFFAOYSA-N -1 3 291.310 3.543 20 30 CHEDHM C=CC[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1 ZINC001225343626 1135548616 /nfs/dbraw/zinc/54/86/16/1135548616.db2.gz ZYHCTKWRLGRMKZ-KRWDZBQOSA-N -1 3 280.323 3.958 20 30 CHEDHM CCC[C@@H](Oc1[n-]c(C)cc(=O)c1C#N)c1ccccc1 ZINC001225468857 1135571523 /nfs/dbraw/zinc/57/15/23/1135571523.db2.gz FDVQDRFNVDWHKH-MRXNPFEDSA-N -1 3 282.343 3.888 20 30 CHEDHM C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccc(F)cc1 ZINC001226110290 1135663290 /nfs/dbraw/zinc/66/32/90/1135663290.db2.gz PIMSFFBMUDLEBC-MUOOZZNISA-N -1 3 259.280 3.774 20 30 CHEDHM Cc1ccccc1OC[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114854 1135663895 /nfs/dbraw/zinc/66/38/95/1135663895.db2.gz RXFKDVCVMSBOHG-BGARDKSCSA-N -1 3 285.343 3.649 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cccc(/C=N/[O-])c2)O1 ZINC001226114432 1135664056 /nfs/dbraw/zinc/66/40/56/1135664056.db2.gz JJHGBVNLEHCSSF-YYXRTCSZSA-N -1 3 289.375 3.776 20 30 CHEDHM [O-]/N=C/c1cccc(O[C@H]2CCc3cc(F)ccc32)c1 ZINC001226115977 1135664994 /nfs/dbraw/zinc/66/49/94/1135664994.db2.gz LMHPNLVGBYALLV-HKJBKDEOSA-N -1 3 271.291 3.700 20 30 CHEDHM C=C[C@@H](CCC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531767 1135709170 /nfs/dbraw/zinc/70/91/70/1135709170.db2.gz HNWTWJDCNNVARQ-NSHDSACASA-N -1 3 274.316 3.541 20 30 CHEDHM C=CC[C@@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])C(C)C ZINC001226532496 1135709320 /nfs/dbraw/zinc/70/93/20/1135709320.db2.gz ROCWSKHOLRZSGF-CQSZACIVSA-N -1 3 288.343 3.787 20 30 CHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1cccc(F)c1F ZINC001227348633 1135824028 /nfs/dbraw/zinc/82/40/28/1135824028.db2.gz ANHWIEFFGPETBZ-SECBINFHSA-N -1 3 275.254 3.682 20 30 CHEDHM N#Cc1ccc([O-])c(O[C@H]2CCc3ccc(Cl)cc32)c1 ZINC001227350452 1135825004 /nfs/dbraw/zinc/82/50/04/1135825004.db2.gz NEDLOJLPTVUFRG-HNNXBMFYSA-N -1 3 285.730 3.984 20 30 CHEDHM C=C[C@]1(C)CC[C@@H](Oc2cc(C#N)ccc2[O-])C(C)(C)O1 ZINC001227351886 1135825384 /nfs/dbraw/zinc/82/53/84/1135825384.db2.gz ZZAHBYRVTBULIU-NVXWUHKLSA-N -1 3 287.359 3.545 20 30 CHEDHM C#C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccc1 ZINC001227586433 1135848083 /nfs/dbraw/zinc/84/80/83/1135848083.db2.gz LITZICCFZCDFIA-LBPRGKRZSA-N -1 3 293.244 3.559 20 30 CHEDHM C#C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccc1 ZINC001227586432 1135848479 /nfs/dbraw/zinc/84/84/79/1135848479.db2.gz LITZICCFZCDFIA-GFCCVEGCSA-N -1 3 293.244 3.559 20 30 CHEDHM C=CC[C@@H](C=C)Oc1c([O-])cc(Br)cc1F ZINC001227591199 1135848733 /nfs/dbraw/zinc/84/87/33/1135848733.db2.gz QRSUYVHEHBWESE-SECBINFHSA-N -1 3 287.128 3.803 20 30 CHEDHM O=C(NCc1ncccc1[O-])[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329099349 227295877 /nfs/dbraw/zinc/29/58/77/227295877.db2.gz MGKNBCIKIHUUAB-BFHYXJOUSA-N -1 3 288.391 3.850 20 30 CHEDHM Cc1c(Cl)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000195206771 262248080 /nfs/dbraw/zinc/24/80/80/262248080.db2.gz OXRRUQUPCIUPEG-GFCCVEGCSA-N -1 3 270.719 3.534 20 30 CHEDHM CC(C)c1ccc(C(=O)NC2(C#N)CCCC2)c([O-])c1 ZINC000331230707 264151923 /nfs/dbraw/zinc/15/19/23/264151923.db2.gz HMXCFFWQSKDMMC-UHFFFAOYSA-N -1 3 272.348 3.657 20 30 CHEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000292649276 264887203 /nfs/dbraw/zinc/88/72/03/264887203.db2.gz MHJBQBSSAZVWLD-UHFFFAOYSA-N -1 3 293.235 3.533 20 30 CHEDHM N#Cc1ccc(/C=C/c2cc([O-])cc(C(F)(F)F)c2)nc1 ZINC000357128088 266252285 /nfs/dbraw/zinc/25/22/85/266252285.db2.gz KRRDEDYDZQOVSF-HNQUOIGGSA-N -1 3 290.244 3.848 20 30 CHEDHM CC(C)N(Cc1ccc(C#N)cc1)Cc1cc([O-])cc(F)c1 ZINC000186183079 329339106 /nfs/dbraw/zinc/33/91/06/329339106.db2.gz KUZTTZHQVAUNNS-UHFFFAOYSA-N -1 3 298.361 3.814 20 30 CHEDHM CCSCc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000125467904 329583187 /nfs/dbraw/zinc/58/31/87/329583187.db2.gz BOLOCLOXFZBUQH-HNNXBMFYSA-N -1 3 296.395 3.825 20 30 CHEDHM N#CC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCC1 ZINC000436609212 330681488 /nfs/dbraw/zinc/68/14/88/330681488.db2.gz IDOJENKRSSSQSR-UHFFFAOYSA-N -1 3 291.310 3.541 20 30 CHEDHM CC(C)c1ccc(C(=O)NCC(C)(C)CCC#N)c([O-])c1 ZINC000436742325 330684089 /nfs/dbraw/zinc/68/40/89/330684089.db2.gz VUZXIZQLDOMMNX-UHFFFAOYSA-N -1 3 288.391 3.575 20 30 CHEDHM N#CCn1c(/C=C\c2ccc([O-])c(F)c2)nc2ccccc21 ZINC000436932275 330689028 /nfs/dbraw/zinc/68/90/28/330689028.db2.gz MWVXTWGXGUHYEX-VURMDHGXSA-N -1 3 293.301 3.575 20 30 CHEDHM C=C1CCN(Cc2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000459334623 331276522 /nfs/dbraw/zinc/27/65/22/331276522.db2.gz MFBNKWLJXCEZRH-UHFFFAOYSA-N -1 3 281.783 3.596 20 30 CHEDHM N#CC(=C([O-])c1csc2ccccc12)c1ccccn1 ZINC000078732895 334139863 /nfs/dbraw/zinc/13/98/63/334139863.db2.gz XRGBAHBCUKLRSS-LBPRGKRZSA-N -1 3 278.336 3.786 20 30 CHEDHM Cc1cccc([O-])c1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000183070376 335860370 /nfs/dbraw/zinc/86/03/70/335860370.db2.gz ZGQDGHWAWQBTIU-UHFFFAOYSA-N -1 3 292.338 3.508 20 30 CHEDHM Cc1c([N-]C(=O)c2ccc(C#N)o2)onc1C1CCCCC1 ZINC000334817560 533918815 /nfs/dbraw/zinc/91/88/15/533918815.db2.gz MBRAQVNCCZOEBJ-UHFFFAOYSA-N -1 3 299.330 3.748 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cc(F)ccc1F ZINC000729641506 1125482601 /nfs/dbraw/zinc/48/26/01/1125482601.db2.gz KNUTWBGWCPRWHH-QGMBQPNBSA-N -1 3 281.689 3.943 20 30 CHEDHM C=CCCO[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000856034442 1123545485 /nfs/dbraw/zinc/54/54/85/1123545485.db2.gz NDPXPXCSGLYVMU-GFCCVEGCSA-N -1 3 281.783 3.533 20 30 CHEDHM C=C(C)CO[N-]C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000846536052 1131713114 /nfs/dbraw/zinc/71/31/14/1131713114.db2.gz QNPULELGMDNUOP-CVEARBPZSA-N -1 3 297.439 3.766 20 30 CHEDHM N#Cc1cc(F)c(Nc2cc([O-])cc(F)c2)c(Cl)c1 ZINC001208125498 1133881686 /nfs/dbraw/zinc/88/16/86/1133881686.db2.gz KTBDNRNDBXLIPO-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM COc1cc(C(=O)/C=C/C=C/c2ccccc2)ccc1[O-] ZINC000067647831 1125694811 /nfs/dbraw/zinc/69/48/11/1125694811.db2.gz VBVRCLPCVZYQPG-NXZHAISVSA-N -1 3 280.323 3.853 20 30 CHEDHM O=C(CCCC(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000904190305 1126837074 /nfs/dbraw/zinc/83/70/74/1126837074.db2.gz JTRZYINYYDDUDB-UHFFFAOYSA-N -1 3 295.688 3.790 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCCC(F)(F)F ZINC000799743063 1131107708 /nfs/dbraw/zinc/10/77/08/1131107708.db2.gz UHMCRPFTRBRHRV-APSNUPSMSA-N -1 3 265.662 3.807 20 30 CHEDHM CCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000005111180 1127387582 /nfs/dbraw/zinc/38/75/82/1127387582.db2.gz KOMXFUIXWTVKDA-PBGVMVHZSA-N -1 3 298.386 3.548 20 30 CHEDHM Cc1cc(Cl)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000357789134 1127394095 /nfs/dbraw/zinc/39/40/95/1127394095.db2.gz ADJISDDFOQWTHH-CQSZACIVSA-N -1 3 299.761 3.545 20 30 CHEDHM CC[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1F ZINC001234144089 1128098777 /nfs/dbraw/zinc/09/87/77/1128098777.db2.gz IWMBDMCITXGNMS-MRXNPFEDSA-N -1 3 271.291 3.933 20 30 CHEDHM Cc1ccc2c(c1)[C@H](/N=C\c1cc(Cl)ccc1[O-])CO2 ZINC000763097036 1128350680 /nfs/dbraw/zinc/35/06/80/1128350680.db2.gz NFZMQOHOYVBXAP-NAQJVLLRSA-N -1 3 287.746 3.907 20 30 CHEDHM Cc1ccc2c(c1)[C@@H](/N=C/c1cc(Cl)ccc1[O-])CO2 ZINC000763097038 1128350687 /nfs/dbraw/zinc/35/06/87/1128350687.db2.gz NFZMQOHOYVBXAP-PVJNQWLSSA-N -1 3 287.746 3.907 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCC(F)(F)C1 ZINC000763095077 1128351163 /nfs/dbraw/zinc/35/11/63/1128351163.db2.gz ACFHRYBHOCAVBJ-QOZZSIDGSA-N -1 3 259.683 3.652 20 30 CHEDHM N#CC1(c2ccc(Nc3ncc(Cl)cc3[O-])cc2)CC1 ZINC001212247857 1128669559 /nfs/dbraw/zinc/66/95/59/1128669559.db2.gz UUTWIXUGSDRPMI-UHFFFAOYSA-N -1 3 285.734 3.739 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccc(F)cc1 ZINC000920943392 1128695422 /nfs/dbraw/zinc/69/54/22/1128695422.db2.gz XEAVRJQDMRMLRH-ZDLGFXPLSA-N -1 3 277.726 3.846 20 30 CHEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)ccc1[O-] ZINC000728230246 1118051330 /nfs/dbraw/zinc/05/13/30/1118051330.db2.gz CFDVWIXRQHSTQF-VURMDHGXSA-N -1 3 284.359 3.617 20 30 CHEDHM CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728231732 1118053173 /nfs/dbraw/zinc/05/31/73/1118053173.db2.gz OHISKIQFLALXGW-UXBLZVDNSA-N -1 3 282.339 3.995 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2ccccc2F)ccc1[O-] ZINC000728231667 1118056215 /nfs/dbraw/zinc/05/62/15/1118056215.db2.gz MZJMNGBNLOLPQI-TWGQIWQCSA-N -1 3 256.276 3.736 20 30 CHEDHM Cc1sc(Nc2cccc(F)c2[O-])c(C#N)c1C ZINC001210195649 1118186727 /nfs/dbraw/zinc/18/67/27/1118186727.db2.gz JSFQMZLOCCYXEB-UHFFFAOYSA-N -1 3 262.309 3.825 20 30 CHEDHM Cc1ccc(F)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001649040338 1118210889 /nfs/dbraw/zinc/21/08/89/1118210889.db2.gz BXMKSYUGMXFWCF-UHFFFAOYSA-N -1 3 293.725 3.819 20 30 CHEDHM CCC1(C(=O)N([O-])Cc2ccccc2Cl)CCC1 ZINC001649045854 1118264803 /nfs/dbraw/zinc/26/48/03/1118264803.db2.gz DZWDHXNBKXMYAU-UHFFFAOYSA-N -1 3 267.756 3.638 20 30 CHEDHM CCCCCCN([O-])C(=O)c1ccc(C(F)F)o1 ZINC001649056484 1118283336 /nfs/dbraw/zinc/28/33/36/1118283336.db2.gz AZONNLCXKAVHLW-UHFFFAOYSA-N -1 3 261.268 3.629 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](c1ccccc1)C1CC1 ZINC001649057410 1118284983 /nfs/dbraw/zinc/28/49/83/1118284983.db2.gz XWNHBJPKZQUNPW-MRXNPFEDSA-N -1 3 275.392 3.978 20 30 CHEDHM CCCCN([O-])C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001649061151 1118293160 /nfs/dbraw/zinc/29/31/60/1118293160.db2.gz HTWJBGVJBBATGI-UHFFFAOYSA-N -1 3 293.382 3.655 20 30 CHEDHM CCCCN([O-])C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001649061520 1118295904 /nfs/dbraw/zinc/29/59/04/1118295904.db2.gz PIYDMKURHHQNNR-UHFFFAOYSA-N -1 3 294.738 3.627 20 30 CHEDHM N#Cc1cc(Nc2c(F)cc(F)cc2Cl)ccc1[O-] ZINC001210532887 1118315953 /nfs/dbraw/zinc/31/59/53/1118315953.db2.gz PFBJMURJGFOKQG-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM CC#Cc1cncc(Nc2cccc(Cl)c2[O-])c1 ZINC001211058363 1118451378 /nfs/dbraw/zinc/45/13/78/1118451378.db2.gz QSYAQWUGBHOARY-UHFFFAOYSA-N -1 3 258.708 3.556 20 30 CHEDHM COc1cc(C(=O)/C=C\c2cc(F)ccc2C)ccc1[O-] ZINC000588393998 1118523085 /nfs/dbraw/zinc/52/30/85/1118523085.db2.gz CHFJPGZPGNZGMM-DAXSKMNVSA-N -1 3 286.302 3.744 20 30 CHEDHM Cc1cc(C#N)c(Nc2cc(F)c([O-])cc2F)s1 ZINC001215570446 1118528286 /nfs/dbraw/zinc/52/82/86/1118528286.db2.gz GDHWRPYHJKXPGG-UHFFFAOYSA-N -1 3 266.272 3.656 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCOC2(CCCC2)C1 ZINC000255336842 1118642764 /nfs/dbraw/zinc/64/27/64/1118642764.db2.gz NESDHCBHTFOACY-JVVDOCDTSA-N -1 3 293.794 3.956 20 30 CHEDHM Cc1c(Cl)cccc1N=Cc1ccc(O)c([O-])c1O ZINC000255374455 1118723197 /nfs/dbraw/zinc/72/31/97/1118723197.db2.gz KFZFMBFRMFOZAI-UHFFFAOYSA-N -1 3 277.707 3.516 20 30 CHEDHM COc1cc(N=Cc2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000255439271 1118941985 /nfs/dbraw/zinc/94/19/85/1118941985.db2.gz SEGZFLDSIUTAHB-UHFFFAOYSA-N -1 3 291.734 3.813 20 30 CHEDHM CCc1cc(Nc2c(F)cc([O-])cc2F)ccc1C#N ZINC001216316433 1118984298 /nfs/dbraw/zinc/98/42/98/1118984298.db2.gz GAQGYPXYODIEGD-UHFFFAOYSA-N -1 3 274.270 3.848 20 30 CHEDHM Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1Cl ZINC000255515041 1119116255 /nfs/dbraw/zinc/11/62/55/1119116255.db2.gz LRHSRGRHDNOVHX-UHFFFAOYSA-N -1 3 277.707 3.516 20 30 CHEDHM CCCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255738127 1119736012 /nfs/dbraw/zinc/73/60/12/1119736012.db2.gz FAHNCDLXDPPMIJ-UHFFFAOYSA-N -1 3 271.316 3.507 20 30 CHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)cc2Cl)c1O ZINC000255846909 1119758254 /nfs/dbraw/zinc/75/82/54/1119758254.db2.gz QWRPXJUHZSUGJF-UHFFFAOYSA-N -1 3 298.125 3.861 20 30 CHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(C3CC3)cc2)n1 ZINC000659010685 1119989410 /nfs/dbraw/zinc/98/94/10/1119989410.db2.gz WLLQNGCBCUGOIB-CQSZACIVSA-N -1 3 282.368 3.819 20 30 CHEDHM COc1cc(C#N)cc(Nc2ccc(Cl)cc2[O-])c1 ZINC001214414014 1120019505 /nfs/dbraw/zinc/01/95/05/1120019505.db2.gz SBKSLVDHHKFVEO-UHFFFAOYSA-N -1 3 274.707 3.669 20 30 CHEDHM Cc1cc(C(=O)/C=C\c2cccnc2Cl)ccc1[O-] ZINC000728697782 1120161833 /nfs/dbraw/zinc/16/18/33/1120161833.db2.gz JHTNADXZEBEDKT-DAXSKMNVSA-N -1 3 273.719 3.645 20 30 CHEDHM N#Cc1ccc(Nc2cc(F)cc(F)c2[O-])c(Cl)c1 ZINC001212484068 1120365538 /nfs/dbraw/zinc/36/55/38/1120365538.db2.gz IFQXOLWRXHWUAC-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM C=CCN(CCc1ccccc1)Cc1cc(C)c(C(=O)[O-])o1 ZINC000652401905 1120853418 /nfs/dbraw/zinc/85/34/18/1120853418.db2.gz HPVPRUZUTRZENJ-UHFFFAOYSA-N -1 3 299.370 3.517 20 30 CHEDHM Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1C#N ZINC001175099772 1121165232 /nfs/dbraw/zinc/16/52/32/1121165232.db2.gz SDMUERAKUZQBBH-UHFFFAOYSA-N -1 3 260.243 3.594 20 30 CHEDHM N#CCc1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001175102409 1121165836 /nfs/dbraw/zinc/16/58/36/1121165836.db2.gz KMBZRWUBMLCACT-UHFFFAOYSA-N -1 3 278.233 3.619 20 30 CHEDHM N#Cc1ccc(Nc2cccc([O-])c2F)c2cccnc12 ZINC001212553881 1121292428 /nfs/dbraw/zinc/29/24/28/1121292428.db2.gz AATJXLXGGRKAAV-UHFFFAOYSA-N -1 3 279.274 3.695 20 30 CHEDHM N#Cc1cc(F)cc(Nc2c([O-])cccc2Cl)c1 ZINC001175684687 1121431244 /nfs/dbraw/zinc/43/12/44/1121431244.db2.gz MAPGLMMYPZJUDJ-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM Cc1nc(C#N)c([N-]c2c(F)ccc3ccc(C)nc32)o1 ZINC001176114810 1121555421 /nfs/dbraw/zinc/55/54/21/1121555421.db2.gz QXFSLWSZFNIIRG-UHFFFAOYSA-N -1 3 282.278 3.594 20 30 CHEDHM N#Cc1ncc(Nc2cc([O-])cc(Cl)c2)cc1Cl ZINC001176623889 1121663397 /nfs/dbraw/zinc/66/33/97/1121663397.db2.gz KICPJRPKEJUAGG-UHFFFAOYSA-N -1 3 280.114 3.709 20 30 CHEDHM Cc1cccc(Nc2cc([O-])cc(Cl)c2)c1C#N ZINC001176625267 1121664385 /nfs/dbraw/zinc/66/43/85/1121664385.db2.gz LNSGWYVYSPLPRC-UHFFFAOYSA-N -1 3 258.708 3.969 20 30 CHEDHM N#CC1(CCOc2ccc3c([O-])coc3c2)CCCCC1 ZINC000664135815 1121689594 /nfs/dbraw/zinc/68/95/94/1121689594.db2.gz NUTZLPFEVMAGRA-UHFFFAOYSA-N -1 3 285.343 3.505 20 30 CHEDHM COC[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000727062366 1121692287 /nfs/dbraw/zinc/69/22/87/1121692287.db2.gz XTJFMUXJIHKCDH-YQYFLZKSSA-N -1 3 289.762 3.852 20 30 CHEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc([O-])cc1F ZINC000729932122 1121784624 /nfs/dbraw/zinc/78/46/24/1121784624.db2.gz CYCYCVUNIUPAKE-UHFFFAOYSA-N -1 3 272.323 3.984 20 30 CHEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccc(F)cc1F ZINC000732623143 1121930063 /nfs/dbraw/zinc/93/00/63/1121930063.db2.gz ZWBFPNNVTUOYEA-DJKKODMXSA-N -1 3 295.716 3.985 20 30 CHEDHM Cc1ccccc1[C@H](O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000732714209 1121933892 /nfs/dbraw/zinc/93/38/92/1121933892.db2.gz UETCRYOUCAGMPE-BZMUBCNJSA-N -1 3 289.762 3.507 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC001184305882 1122266839 /nfs/dbraw/zinc/26/68/39/1122266839.db2.gz VVQSOHAHYCMBQW-LBPRGKRZSA-N -1 3 299.798 3.905 20 30 CHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc(C)c1O ZINC001188012848 1122452337 /nfs/dbraw/zinc/45/23/37/1122452337.db2.gz GEAAIYQNGXHKOQ-UHFFFAOYSA-N -1 3 299.436 3.803 20 30 CHEDHM CSc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1 ZINC001188111217 1122454414 /nfs/dbraw/zinc/45/44/14/1122454414.db2.gz VUNLUFOYKPLDEE-UHFFFAOYSA-N -1 3 299.355 3.630 20 30 CHEDHM C=CCCc1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC000436500387 1122557099 /nfs/dbraw/zinc/55/70/99/1122557099.db2.gz ZWKLXSOSVPPEMP-UHFFFAOYSA-N -1 3 297.354 3.772 20 30 CHEDHM C#C[C@H](CCCCC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225995865 1122719813 /nfs/dbraw/zinc/71/98/13/1122719813.db2.gz UNJNHESJTRIZSY-CQSZACIVSA-N -1 3 260.333 3.556 20 30 CHEDHM CO[C@@H]1[C@H](C)[C@H](/N=C/c2cc(Cl)ccc2[O-])C1(C)C ZINC000775629426 1122827579 /nfs/dbraw/zinc/82/75/79/1122827579.db2.gz HOTUNEGUBUWLHI-YAPQGXBRSA-N -1 3 281.783 3.524 20 30 CHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(O)cc1 ZINC000007333191 1123248886 /nfs/dbraw/zinc/24/88/86/1123248886.db2.gz BVHYDKDULGTQBA-YXYQAXARSA-N -1 3 284.286 3.620 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](Oc2ncc(Cl)cc2[O-])C(C)(C)O1 ZINC001227982610 1124091890 /nfs/dbraw/zinc/09/18/90/1124091890.db2.gz FAVZMIFDMKXWQX-WFASDCNBSA-N -1 3 297.782 3.722 20 30 CHEDHM Cc1ccsc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794942151 1124094685 /nfs/dbraw/zinc/09/46/85/1124094685.db2.gz JEUCMJMXLGHJID-DUXPYHPUSA-N -1 3 280.295 3.936 20 30 CHEDHM CCOc1cc(C)c(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001238977136 1131283262 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20 30 CHEDHM CC(=N[O-])c1ccc(O[C@H](C#N)c2ccccc2F)cc1 ZINC001234079009 1130605866 /nfs/dbraw/zinc/60/58/66/1130605866.db2.gz AKXNPTIASMHVED-MRXNPFEDSA-N -1 3 284.290 3.668 20 30 CHEDHM Cc1ccc2c(c1)[C@H](Oc1cc([O-])cc(C#N)c1)CC2 ZINC001234142581 1130610876 /nfs/dbraw/zinc/61/08/76/1130610876.db2.gz WIWQIUPHQACOBK-QGZVFWFLSA-N -1 3 265.312 3.639 20 30 CHEDHM CC(C)OCc1cc(N=Cc2ccccc2O)ccc1[O-] ZINC000811624602 1130624431 /nfs/dbraw/zinc/62/44/31/1130624431.db2.gz KKKIPQOTAXQFHL-UHFFFAOYSA-N -1 3 285.343 3.773 20 30 CHEDHM N#CC1CCC(Oc2c(Cl)ccc([O-])c2F)CC1 ZINC001234264805 1130626656 /nfs/dbraw/zinc/62/66/56/1130626656.db2.gz STLKTVUABVNKFV-UHFFFAOYSA-N -1 3 269.703 3.646 20 30 CHEDHM C=C1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781908501 1130746814 /nfs/dbraw/zinc/74/68/14/1130746814.db2.gz JTEKRXXDQRGWES-UHFFFAOYSA-N -1 3 296.208 3.615 20 30 CHEDHM COc1cc(C=NN[C@@H]2CCCC2(C)C)cc(Cl)c1[O-] ZINC000782302304 1130770622 /nfs/dbraw/zinc/77/06/22/1130770622.db2.gz TWDHJLRKJGOVTN-CYBMUJFWSA-N -1 3 296.798 3.556 20 30 CHEDHM N#Cc1ncc(-c2cc([O-])cc(Cl)c2)cc1C(F)(F)F ZINC001235903927 1130800646 /nfs/dbraw/zinc/80/06/46/1130800646.db2.gz LWVBWIOVLUPUSP-UHFFFAOYSA-N -1 3 298.651 3.998 20 30 CHEDHM COc1cc(-c2ccc3c(c2)CC/C3=N/[O-])cc(C)c1F ZINC001236195750 1130884769 /nfs/dbraw/zinc/88/47/69/1130884769.db2.gz TXAYYKBFVRDKQN-CYVLTUHYSA-N -1 3 285.318 3.934 20 30 CHEDHM [O-]c1c(C=NOC/C=C/Cl)ccc2ccccc12 ZINC000814933882 1130938628 /nfs/dbraw/zinc/93/86/28/1130938628.db2.gz DMVXBPNTLILOHE-LLJUOEEHSA-N -1 3 261.708 3.648 20 30 CHEDHM C=CCN(CC=C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795619 1131008292 /nfs/dbraw/zinc/00/82/92/1131008292.db2.gz IIWCIUGATIPJBD-UHFFFAOYSA-N -1 3 272.175 3.873 20 30 CHEDHM CC1(C#N)CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236798198 1131009549 /nfs/dbraw/zinc/00/95/49/1131009549.db2.gz HWBJYCBRPVMBGF-UHFFFAOYSA-N -1 3 299.201 3.825 20 30 CHEDHM CCCCN(CCC#N)Cc1c([O-])cc(OC)cc1Cl ZINC001236799296 1131009769 /nfs/dbraw/zinc/00/97/69/1131009769.db2.gz MFJVGLZXCURUMK-UHFFFAOYSA-N 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ZINC001233593063 1132644180 /nfs/dbraw/zinc/64/41/80/1132644180.db2.gz TXDYYCHBVQFZTO-NSHDSACASA-N -1 3 252.741 3.925 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccccc1C ZINC001233802939 1132681341 /nfs/dbraw/zinc/68/13/41/1132681341.db2.gz KETKHHJWILKDKB-VBEHJTROSA-N -1 3 285.343 3.952 20 30 CHEDHM CC[C@@H](Oc1ccc(/C=N/[O-])cc1OC)C(C)(C)C ZINC001233803869 1132681717 /nfs/dbraw/zinc/68/17/17/1132681717.db2.gz TYKFRDABSCLVGG-DWKHYPNZSA-N -1 3 265.353 3.707 20 30 CHEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1ccccc1C#N ZINC001233802926 1132681574 /nfs/dbraw/zinc/68/15/74/1132681574.db2.gz KDSHLYDCLGAKSS-ZGXHQARYSA-N -1 3 296.326 3.515 20 30 CHEDHM CC[C@@H]1CCCC[C@@H]1Oc1ccc(/C=N/[O-])cc1OC ZINC001233799978 1132681645 /nfs/dbraw/zinc/68/16/45/1132681645.db2.gz MIWHPQKWLLIEHE-PBTRJEIRSA-N -1 3 277.364 3.851 20 30 CHEDHM C=C[C@@]1(C)CC[C@H](Oc2cccc([O-])c2F)C(C)(C)O1 ZINC001233870541 1132690740 /nfs/dbraw/zinc/69/07/40/1132690740.db2.gz FPAQCGOVPSFYIS-BBRMVZONSA-N -1 3 280.339 3.812 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccc3cc(N)ccc3c2)c1 ZINC001159630026 1132878955 /nfs/dbraw/zinc/87/89/55/1132878955.db2.gz KWBUJEBEPPDTHT-UHFFFAOYSA-N -1 3 275.311 3.743 20 30 CHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001161826627 1133031972 /nfs/dbraw/zinc/03/19/72/1133031972.db2.gz IIIUAZUJOGCYTQ-JKSUJKDBSA-N -1 3 275.392 3.897 20 30 CHEDHM O=C([C@H]1C[C@@H]1C1CC1)N([O-])Cc1cccc2ccccc21 ZINC001161842702 1133035233 /nfs/dbraw/zinc/03/52/33/1133035233.db2.gz MKJWBAJWSJMHOF-SJORKVTESA-N -1 3 281.355 3.604 20 30 CHEDHM N#CC1(c2ccc(-c3ccc([O-])cc3F)nc2)CCC1 ZINC001206029528 1133644381 /nfs/dbraw/zinc/64/43/81/1133644381.db2.gz BQQHBASIKAHSEB-UHFFFAOYSA-N -1 3 268.291 3.539 20 30 CHEDHM N#Cc1c[nH]c2cc(-c3ccc([O-])cc3F)ccc12 ZINC001206064359 1133652255 /nfs/dbraw/zinc/65/22/55/1133652255.db2.gz FWRJVJQOQJBICJ-UHFFFAOYSA-N -1 3 252.248 3.551 20 30 CHEDHM CC(=O)c1ccc(Cl)c(Nc2ccc([O-])c(C#N)c2)c1 ZINC001210533314 1134241305 /nfs/dbraw/zinc/24/13/05/1134241305.db2.gz XRIPCLFEYWUIET-UHFFFAOYSA-N -1 3 286.718 3.863 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2ccccc2N2CCCC2)c1 ZINC001213611298 1134469444 /nfs/dbraw/zinc/46/94/44/1134469444.db2.gz YYYOPWVLPUCNAH-UHFFFAOYSA-N -1 3 279.343 3.608 20 30 CHEDHM N#Cc1ccc([O-])c(Nc2c(Cl)ccc(F)c2F)c1 ZINC001213949580 1134500443 /nfs/dbraw/zinc/50/04/43/1134500443.db2.gz DDKMSXZMKXARQB-UHFFFAOYSA-N -1 3 280.661 3.939 20 30 CHEDHM N#Cc1cccc(Nc2ccc(Cl)cc2[O-])c1F ZINC001214409600 1134535958 /nfs/dbraw/zinc/53/59/58/1134535958.db2.gz NMTPWFLYQLRUPF-UHFFFAOYSA-N -1 3 262.671 3.800 20 30 CHEDHM N#Cc1ccc(Nc2ccc(Cl)cc2[O-])c(C#N)c1 ZINC001214413788 1134536468 /nfs/dbraw/zinc/53/64/68/1134536468.db2.gz OIEGDFBTVBYNEV-UHFFFAOYSA-N -1 3 269.691 3.533 20 30 CHEDHM CSc1ccc(F)c([N-]c2oc(C)nc2C#N)c1F ZINC001215838381 1134699088 /nfs/dbraw/zinc/69/90/88/1134699088.db2.gz FEHISAVRVSJZJF-UHFFFAOYSA-N -1 3 281.287 3.598 20 30 CHEDHM CSc1ncc(Cl)cc1Nc1cc(C#N)ccc1[O-] ZINC001215916546 1134718846 /nfs/dbraw/zinc/71/88/46/1134718846.db2.gz ZQUPIBFHVVAOGD-UHFFFAOYSA-N -1 3 291.763 3.778 20 30 CHEDHM CC(=O)c1ccc(Nc2cccc(Cl)c2C#N)cc1[O-] ZINC001216127727 1134787146 /nfs/dbraw/zinc/78/71/46/1134787146.db2.gz CKCJPBXHRVKCNL-UHFFFAOYSA-N -1 3 286.718 3.863 20 30 CHEDHM C=C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225577147 1135589956 /nfs/dbraw/zinc/58/99/56/1135589956.db2.gz UCHQNGJYRGDSKN-LLVKDONJSA-N -1 3 296.248 3.507 20 30 CHEDHM [O-]/N=C/c1cccc(O[C@@H]2CCCc3ccccc32)c1 ZINC001226115195 1135664191 /nfs/dbraw/zinc/66/41/91/1135664191.db2.gz XWTUEQKAAQCUAR-YPOUMIDOSA-N -1 3 267.328 3.951 20 30 CHEDHM C=C[C@]1(C)CC[C@@H](Oc2cccc(/C=N/[O-])c2)C(C)(C)O1 ZINC001226115065 1135664387 /nfs/dbraw/zinc/66/43/87/1135664387.db2.gz WBKKMTRLAXLLQA-LUHQZAGKSA-N -1 3 289.375 3.776 20 30 CHEDHM C=C[C@H](Oc1cccc(/C=N/[O-])c1)c1ccccc1 ZINC001226115352 1135665170 /nfs/dbraw/zinc/66/51/70/1135665170.db2.gz BTNXAGOQJLARGS-WLSWZUKCSA-N -1 3 253.301 3.801 20 30 CHEDHM CCCC[C@H](Oc1nccc(/C=N/[O-])n1)c1ccccc1 ZINC001226254866 1135677565 /nfs/dbraw/zinc/67/75/65/1135677565.db2.gz DGIJIXDAFZPYDT-BRFSQIRFSA-N -1 3 285.347 3.595 20 30 CHEDHM C=CC[C@H](Oc1cc(=O)[n-]cn1)c1ccc(Cl)cc1 ZINC001226945462 1135765986 /nfs/dbraw/zinc/76/59/86/1135765986.db2.gz VOLCESZCKJIXBI-LBPRGKRZSA-N -1 3 276.723 3.532 20 30 CHEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227345176 1135824352 /nfs/dbraw/zinc/82/43/52/1135824352.db2.gz KURMQYZCORFROI-GOEBONIOSA-N -1 3 269.344 3.944 20 30 CHEDHM Cc1cc(COc2cc(C#N)ccc2[O-])ccc1OC(C)C ZINC001227351653 1135824628 /nfs/dbraw/zinc/82/46/28/1135824628.db2.gz WYONJMHWAPTIKH-UHFFFAOYSA-N -1 3 297.354 3.939 20 30 CHEDHM CCC[C@@H](C#Cc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227351820 1135824646 /nfs/dbraw/zinc/82/46/46/1135824646.db2.gz YTPAEOHMBRKVQF-KRWDZBQOSA-N -1 3 291.350 3.863 20 30 CHEDHM C[C@@H](CCc1ccccc1)Oc1cc(C#N)ccc1[O-] ZINC001227349803 1135825508 /nfs/dbraw/zinc/82/55/08/1135825508.db2.gz JVIAUJQFRXPMNI-ZDUSSCGKSA-N -1 3 267.328 3.664 20 30 CHEDHM C=CCC(CC=C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227587291 1135848549 /nfs/dbraw/zinc/84/85/49/1135848549.db2.gz RCSREGJHYUGDRK-UHFFFAOYSA-N -1 3 273.254 3.706 20 30 CHEDHM C=CC[C@H]1N(C(=O)c2ccc([O-])c(C)c2)CCCC1(C)C ZINC000444639618 261055574 /nfs/dbraw/zinc/05/55/74/261055574.db2.gz ZJPHCRLIDANKRJ-MRXNPFEDSA-N -1 3 287.403 3.908 20 30 CHEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000287063150 263100855 /nfs/dbraw/zinc/10/08/55/263100855.db2.gz JNEJPBQEBZYGEI-SVSQBPIJSA-N -1 3 296.086 3.524 20 30 CHEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000188963698 264260681 /nfs/dbraw/zinc/26/06/81/264260681.db2.gz GXHSSPIKPWCABI-ZDUSSCGKSA-N -1 3 253.729 3.586 20 30 CHEDHM CC(C)c1cc(C(=O)NC[C@@H](C)C#N)c([O-])c(C(C)C)c1 ZINC000560614290 327330610 /nfs/dbraw/zinc/33/06/10/327330610.db2.gz ARPRHJIQBVFSMJ-LBPRGKRZSA-N -1 3 288.391 3.528 20 30 CHEDHM C=C(C)COc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000129281118 329616142 /nfs/dbraw/zinc/61/61/42/329616142.db2.gz CYQJHUPSHQMYHO-UHFFFAOYSA-N -1 3 284.359 3.663 20 30 CHEDHM C=C[C@H](CC(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000122557114 330425231 /nfs/dbraw/zinc/42/52/31/330425231.db2.gz OLCDVIQUYCXUAZ-CQSZACIVSA-N -1 3 281.355 3.999 20 30 CHEDHM C=CC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459360753 331278156 /nfs/dbraw/zinc/27/81/56/331278156.db2.gz YTUMQJFCEFEYKC-UHFFFAOYSA-N -1 3 296.208 3.553 20 30 CHEDHM C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000490825843 332118086 /nfs/dbraw/zinc/11/80/86/332118086.db2.gz WTZPBILAQDTDBK-UHFFFAOYSA-N -1 3 267.756 3.895 20 30 CHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000184763744 333131848 /nfs/dbraw/zinc/13/18/48/333131848.db2.gz OEWBBFCBPGXSAX-SECBINFHSA-N -1 3 253.729 3.586 20 30 CHEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000184837778 333132655 /nfs/dbraw/zinc/13/26/55/333132655.db2.gz SEFYCVAGSUNSGK-VIFPVBQESA-N -1 3 298.180 3.696 20 30 CHEDHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329911700 527824235 /nfs/dbraw/zinc/82/42/35/527824235.db2.gz NZJXQKKDDWFJFI-WDEREUQCSA-N -1 3 282.409 3.758 20 30 CHEDHM C=C(CC)CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833371347 605399121 /nfs/dbraw/zinc/39/91/21/605399121.db2.gz ZNUZFHMUKRIBFL-LBPRGKRZSA-N -1 3 288.174 3.675 20 30 CHEDHM