smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC000826286223 947827202 /nfs/dbraw/zinc/82/72/02/947827202.db2.gz VXHUQWHJJHFIPB-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC000826286223 947827212 /nfs/dbraw/zinc/82/72/12/947827212.db2.gz VXHUQWHJJHFIPB-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000578561386 1013262379 /nfs/dbraw/zinc/26/23/79/1013262379.db2.gz ASILTXIIMUREHN-VIFPVBQESA-N -1 3 308.230 3.626 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2c(Cl)nc3sccn23)ccc1[O-] ZINC000728231181 1013283590 /nfs/dbraw/zinc/28/35/90/1013283590.db2.gz JKRRYSYWGHAJBH-HYXAFXHYSA-N -1 3 318.785 3.959 20 30 DHEDHM COc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1NC(C)=O ZINC000255061900 1013600890 /nfs/dbraw/zinc/60/08/90/1013600890.db2.gz CCYAZOPRBLBBDI-UHFFFAOYSA-N -1 3 318.760 3.763 20 30 DHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1OC(C)C ZINC000255072328 1013625996 /nfs/dbraw/zinc/62/59/96/1013625996.db2.gz GIRRVXCVQDQOMZ-UHFFFAOYSA-N -1 3 301.342 3.650 20 30 DHEDHM CC1(C#N)CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000833552045 979203435 /nfs/dbraw/zinc/20/34/35/979203435.db2.gz YWRACJDVXKRMML-UHFFFAOYSA-N -1 3 314.410 3.725 20 30 DHEDHM C=CCN(Cc1ccc(/C=C/C(=O)[O-])o1)CC1CCCCC1 ZINC000902252150 980799023 /nfs/dbraw/zinc/79/90/23/980799023.db2.gz CBKKSIGUMBBXMJ-ZHACJKMWSA-N -1 3 303.402 3.946 20 30 DHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000443414319 1014905014 /nfs/dbraw/zinc/90/50/14/1014905014.db2.gz CBUHMEMFKLSEOE-UHFFFAOYSA-N -1 3 305.374 3.745 20 30 DHEDHM C#C[C@H](N[C@H]1CCC[C@H](CCCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588377588 983357859 /nfs/dbraw/zinc/35/78/59/983357859.db2.gz NIKHDDMERIANGP-JLSDUUJJSA-N -1 3 317.404 3.903 20 30 DHEDHM C#CCC1(N[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCC1 ZINC001588427872 983458523 /nfs/dbraw/zinc/45/85/23/983458523.db2.gz PQLXNLRDHOAXLS-ZDUSSCGKSA-N -1 3 312.196 3.655 20 30 DHEDHM C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588744536 984043144 /nfs/dbraw/zinc/04/31/44/984043144.db2.gz OGPXRMZMTNTILM-JSGCOSHPSA-N -1 3 316.426 3.679 20 30 DHEDHM [O-]c1c(F)cc(C=NNc2ncc(Cl)cc2Cl)cc1F ZINC000749854190 1015768418 /nfs/dbraw/zinc/76/84/18/1015768418.db2.gz HJISVTZCOVMGLR-UHFFFAOYSA-N -1 3 318.110 3.818 20 30 DHEDHM N#Cc1ccc(C2(C(=O)Nc3ccc(Cl)cc3[O-])CC2)cc1 ZINC000444260054 1016902341 /nfs/dbraw/zinc/90/23/41/1016902341.db2.gz MQDFPOIYPRHMHG-UHFFFAOYSA-N -1 3 312.756 3.588 20 30 DHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001147172197 1032282176 /nfs/dbraw/zinc/28/21/76/1032282176.db2.gz LCDRWDFFXSFLOP-DOMZBBRYSA-N -1 3 305.443 3.979 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000773154110 1032581722 /nfs/dbraw/zinc/58/17/22/1032581722.db2.gz RNVRFCSGUJLSSQ-NTMALXAHSA-N -1 3 304.349 3.782 20 30 DHEDHM N#Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153442805 1017207006 /nfs/dbraw/zinc/20/70/06/1017207006.db2.gz KWWFUGAJXMAZBS-UHFFFAOYSA-N -1 3 318.785 3.648 20 30 DHEDHM CCC(N=Nc1nncc2ccccc21)c1ccc([O-])c(F)c1 ZINC000764654832 1018340631 /nfs/dbraw/zinc/34/06/31/1018340631.db2.gz PULFBEBCOAKEAB-UHFFFAOYSA-N -1 3 310.332 3.701 20 30 DHEDHM CCC(N=Nc1oc(C(C)C)nc1C#N)c1ccc([O-])c(F)c1 ZINC000764680403 1018341876 /nfs/dbraw/zinc/34/18/76/1018341876.db2.gz HJANZMJPYWHBQQ-UHFFFAOYSA-N -1 3 316.336 3.741 20 30 DHEDHM C[C@H](CCC#N)Sc1nnc([N-]c2ccccc2F)s1 ZINC000550983503 1018910632 /nfs/dbraw/zinc/91/06/32/1018910632.db2.gz QGUDGJGLKRZDNW-SECBINFHSA-N -1 3 308.407 4.205 20 30 DHEDHM O=C(Cc1ccccc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973075 1019312478 /nfs/dbraw/zinc/31/24/78/1019312478.db2.gz SUVIIRDBXQFBIW-UHFFFAOYSA-N -1 3 302.721 3.549 20 30 DHEDHM CCC(=NNC1CCCC1)c1cc(Br)ccc1[O-] ZINC000727652024 1019746317 /nfs/dbraw/zinc/74/63/17/1019746317.db2.gz GIRFWEQTROXJAV-UHFFFAOYSA-N -1 3 311.223 3.801 20 30 DHEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc([O-])cc1F ZINC000729932889 1019925507 /nfs/dbraw/zinc/92/55/07/1019925507.db2.gz NYYBFVYBYSQLDE-UHFFFAOYSA-N -1 3 303.293 3.584 20 30 DHEDHM Cc1cc(C#N)cc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001299291356 1020606521 /nfs/dbraw/zinc/60/65/21/1020606521.db2.gz BHCZAMWCBQXLQW-UHFFFAOYSA-N -1 3 306.365 3.703 20 30 DHEDHM CCN(c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)C(C)C ZINC000255885238 1020838505 /nfs/dbraw/zinc/83/85/05/1020838505.db2.gz CUFUVMXOJBSLBL-UHFFFAOYSA-N -1 3 314.385 3.789 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2c(c1)CCO2 ZINC000917520278 1021288085 /nfs/dbraw/zinc/28/80/85/1021288085.db2.gz ZASGHSGEXVFUEK-QQMDNXKGSA-N -1 3 310.324 3.850 20 30 DHEDHM CCCCCC[C@@H](C)NN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000743450025 1021295089 /nfs/dbraw/zinc/29/50/89/1021295089.db2.gz DVSYPHTTWUPOJO-GFCCVEGCSA-N -1 3 323.393 3.591 20 30 DHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1nccs1 ZINC000618374998 1021366091 /nfs/dbraw/zinc/36/60/91/1021366091.db2.gz OOIIQSTWOYEWHL-SNVBAGLBSA-N -1 3 303.412 3.790 20 30 DHEDHM C=CCN(Cc1ccccc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000181958444 1021404487 /nfs/dbraw/zinc/40/44/87/1021404487.db2.gz JAHJLZDNVZXZHV-UHFFFAOYSA-N -1 3 321.376 3.687 20 30 DHEDHM CCCCCCCCCN(C)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000918398150 1021509474 /nfs/dbraw/zinc/50/94/74/1021509474.db2.gz XEOQERPUAYRKOX-UHFFFAOYSA-N -1 3 321.417 3.944 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccnc1Cl ZINC000728697994 1021678171 /nfs/dbraw/zinc/67/81/71/1021678171.db2.gz AWFNLFOQSXQPEE-VKHJRQFRSA-N -1 3 303.720 3.963 20 30 DHEDHM CCCCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000745465657 1021721573 /nfs/dbraw/zinc/72/15/73/1021721573.db2.gz WERPPYFRIRXUQP-UHFFFAOYSA-N -1 3 315.421 3.946 20 30 DHEDHM CCCCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000745465657 1021721589 /nfs/dbraw/zinc/72/15/89/1021721589.db2.gz WERPPYFRIRXUQP-UHFFFAOYSA-N -1 3 315.421 3.946 20 30 DHEDHM CC[C@@H](C)Oc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920178841 1022070440 /nfs/dbraw/zinc/07/04/40/1022070440.db2.gz XVVAMGZCKYTNHP-LLVKDONJSA-N -1 3 301.342 3.731 20 30 DHEDHM CCCn1nccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000853001913 1022192748 /nfs/dbraw/zinc/19/27/48/1022192748.db2.gz CMSASSOYOPYDDR-JMZICWNOSA-N -1 3 300.333 3.521 20 30 DHEDHM N#Cc1cc([O-])ccc1-c1ccc(C2(C#N)CCOCC2)cc1 ZINC000854200276 1022427725 /nfs/dbraw/zinc/42/77/25/1022427725.db2.gz NRYNWIPAFMGALU-UHFFFAOYSA-N -1 3 304.349 3.503 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cncc(Br)c2)ccc1[O-] ZINC000767359176 1022695826 /nfs/dbraw/zinc/69/58/26/1022695826.db2.gz FAGQOTPAKDICBF-DUXPYHPUSA-N -1 3 318.170 3.754 20 30 DHEDHM C=CCCO[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000856032654 1022741640 /nfs/dbraw/zinc/74/16/40/1022741640.db2.gz RBRIKFXMBYLYBY-UHFFFAOYSA-N -1 3 310.806 3.506 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccn(C2CCCC2)n1 ZINC000769773734 1023204755 /nfs/dbraw/zinc/20/47/55/1023204755.db2.gz JOGYVKKECYHMEJ-ZDLGFXPLSA-N -1 3 303.793 3.976 20 30 DHEDHM C=CC[C@H]1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000859446191 1033143865 /nfs/dbraw/zinc/14/38/65/1033143865.db2.gz WUFMOGRLSREDGH-NSHDSACASA-N -1 3 319.788 3.550 20 30 DHEDHM N#Cc1ccc(COC(=O)c2cc3occc3[n-]2)c(Cl)c1 ZINC000786034098 1023654310 /nfs/dbraw/zinc/65/43/10/1023654310.db2.gz WQPQUEBANSTEBY-UHFFFAOYSA-N -1 3 300.701 3.643 20 30 DHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(CC)c1[O-] ZINC000094068189 1024158656 /nfs/dbraw/zinc/15/86/56/1024158656.db2.gz JNNZOXFLYCICCS-UHFFFAOYSA-N -1 3 320.392 3.655 20 30 DHEDHM C#Cc1cccc(N(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792135518 1024632921 /nfs/dbraw/zinc/63/29/21/1024632921.db2.gz ATJDMWZYMPJKEW-UHFFFAOYSA-N -1 3 301.345 3.803 20 30 DHEDHM C=CCOc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263387979 1024961662 /nfs/dbraw/zinc/96/16/62/1024961662.db2.gz YGWBEMMLKYFDBS-TZMCWYRMSA-N -1 3 323.820 3.590 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c2c(n1)onc2C(C)C ZINC000194376262 1025964064 /nfs/dbraw/zinc/96/40/64/1025964064.db2.gz FIJRGKFKBLSPLU-CYBMUJFWSA-N -1 3 320.352 3.540 20 30 DHEDHM COc1cc(Cl)c(N=Cc2ccc(O)c([O-])c2O)cc1C ZINC000809145310 1026466884 /nfs/dbraw/zinc/46/68/84/1026466884.db2.gz ZTZAMEZINFVSGZ-UHFFFAOYSA-N -1 3 307.733 3.524 20 30 DHEDHM C=CC[C@H]1CCCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000664254331 1026845086 /nfs/dbraw/zinc/84/50/86/1026845086.db2.gz UWAMDGHWHQJDII-AWEZNQCLSA-N -1 3 324.428 3.599 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1COc2ccccc2C1 ZINC000747713266 1026997097 /nfs/dbraw/zinc/99/70/97/1026997097.db2.gz QVSPKXNHGXFGDC-ZTPSMGMTSA-N -1 3 301.773 3.716 20 30 DHEDHM CC(C)Oc1ccc(NCc2c(F)ccc([O-])c2F)cc1C#N ZINC000811837649 1027097270 /nfs/dbraw/zinc/09/72/70/1027097270.db2.gz XIRFOTMCNPBAJK-UHFFFAOYSA-N -1 3 318.323 3.941 20 30 DHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C1CCCC1 ZINC000572076637 1027169287 /nfs/dbraw/zinc/16/92/87/1027169287.db2.gz LHMSALTXXNGCCV-HNNXBMFYSA-N -1 3 322.412 3.836 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000934790996 1028107974 /nfs/dbraw/zinc/10/79/74/1028107974.db2.gz IUNBPAYUWKMOCL-GHMZBOCLSA-N -1 3 309.435 3.532 20 30 DHEDHM C[C@H](NCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815618173 1028571945 /nfs/dbraw/zinc/57/19/45/1028571945.db2.gz GINLRJBXJFJYJW-JTQLQIEISA-N -1 3 321.302 3.528 20 30 DHEDHM CCc1cccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000566133761 1028680615 /nfs/dbraw/zinc/68/06/15/1028680615.db2.gz LOROCRLBQQOAGA-CYBMUJFWSA-N -1 3 308.381 3.659 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)no1 ZINC000411024014 1029002867 /nfs/dbraw/zinc/00/28/67/1029002867.db2.gz YYNMAXUNRXQPSK-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c([O-])c1C ZINC001136409301 1029803052 /nfs/dbraw/zinc/80/30/52/1029803052.db2.gz NUMXXKCGZAEISI-UHFFFAOYSA-N -1 3 324.380 3.920 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCCCS1 ZINC000783681363 1030116747 /nfs/dbraw/zinc/11/67/47/1030116747.db2.gz DIDWEOJALNLJRO-AZZDOICSSA-N -1 3 314.248 3.859 20 30 DHEDHM CCc1cccc(F)c1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000794934529 1030386350 /nfs/dbraw/zinc/38/63/50/1030386350.db2.gz SZTAQUCUXKGXML-NTMALXAHSA-N -1 3 300.329 3.998 20 30 DHEDHM COc1cc(C)cc(C([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000870116385 1030926483 /nfs/dbraw/zinc/92/64/83/1030926483.db2.gz FFGYKFHHUNNALE-CYBMUJFWSA-N -1 3 300.383 3.567 20 30 DHEDHM CC[C@@H](NCc1ccc(C)nc1Cl)c1cccc(C#N)c1[O-] ZINC000926852528 1030954406 /nfs/dbraw/zinc/95/44/06/1030954406.db2.gz YSBOHCOHPBHOMB-OAHLLOKOSA-N -1 3 315.804 3.862 20 30 DHEDHM N#C[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000928223024 1031260299 /nfs/dbraw/zinc/26/02/99/1031260299.db2.gz LWEOEPKONYTGKF-AWEZNQCLSA-N -1 3 322.364 3.560 20 30 DHEDHM N#CC1(CCOC(=O)c2ccc(N)c(Cl)c2[O-])CCCCC1 ZINC000845190871 1031499339 /nfs/dbraw/zinc/49/93/39/1031499339.db2.gz BHEOAAHVHXBOSR-UHFFFAOYSA-N -1 3 322.792 3.649 20 30 DHEDHM N#CC(C(=O)C1(F)CCCCC1)=C([O-])C1(c2ccccc2)CC1 ZINC000845844020 1031728399 /nfs/dbraw/zinc/72/83/99/1031728399.db2.gz ODYFHWFIALVPGZ-OAHLLOKOSA-N -1 3 313.372 3.669 20 30 DHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H](F)c1ccccc1 ZINC000845843346 1031740412 /nfs/dbraw/zinc/74/04/12/1031740412.db2.gz CILDONAEPZGYSG-SJORKVTESA-N -1 3 321.351 3.707 20 30 DHEDHM N#CC(C(=O)[C@@H](F)c1ccccc1)=C([O-])C1(c2ccccc2)CC1 ZINC000845843346 1031740423 /nfs/dbraw/zinc/74/04/23/1031740423.db2.gz CILDONAEPZGYSG-SJORKVTESA-N -1 3 321.351 3.707 20 30 DHEDHM N#Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000476174150 1031752438 /nfs/dbraw/zinc/75/24/38/1031752438.db2.gz UFYUFIVVAYYORB-UHFFFAOYSA-N -1 3 312.272 3.596 20 30 DHEDHM CCCN(C)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000118911920 1033833118 /nfs/dbraw/zinc/83/31/18/1033833118.db2.gz LTWAXJFSDLTSHP-HNNXBMFYSA-N -1 3 313.426 3.788 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NCCC1CCOCC1 ZINC000863128268 1034004370 /nfs/dbraw/zinc/00/43/70/1034004370.db2.gz IZFLEWATPYFHCC-UHFFFAOYSA-N -1 3 302.403 3.507 20 30 DHEDHM C=C(Cl)C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000864347422 1034324001 /nfs/dbraw/zinc/32/40/01/1034324001.db2.gz QCCHXOWZYVOLAA-OYZNXWOWSA-N -1 3 316.184 3.539 20 30 DHEDHM C=C(Cl)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000864347423 1034324685 /nfs/dbraw/zinc/32/46/85/1034324685.db2.gz QCCHXOWZYVOLAA-VQGSWFTOSA-N -1 3 316.184 3.539 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1C[C@H]1C(F)(F)F ZINC000864347019 1034324706 /nfs/dbraw/zinc/32/47/06/1034324706.db2.gz INGMOBZZPHXZHG-QGDUROMISA-N -1 3 308.097 3.524 20 30 DHEDHM C[C@@H]1CC2(CC(/N=C\c3cc(Br)ccc3[O-])C2)CO1 ZINC000899231482 1034522530 /nfs/dbraw/zinc/52/25/30/1034522530.db2.gz DZFWZGIXQURWQT-LRPCYHARSA-N -1 3 324.218 3.531 20 30 DHEDHM CCc1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)no1 ZINC000888870169 1034539774 /nfs/dbraw/zinc/53/97/74/1034539774.db2.gz MPZOJVBWAUKVPH-LLVKDONJSA-N -1 3 315.398 3.884 20 30 DHEDHM N#Cc1ncc(Nc2c(F)cc([O-])cc2F)cc1C(F)(F)F ZINC001175099226 1034779920 /nfs/dbraw/zinc/77/99/20/1034779920.db2.gz XLZQILLGAFUHAV-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM N#Cc1cnn(-c2ccccc2)c1Nc1cc([O-])cc(Cl)c1 ZINC001176622095 1035302059 /nfs/dbraw/zinc/30/20/59/1035302059.db2.gz MZDKMFQVRSEEMB-UHFFFAOYSA-N -1 3 310.744 3.847 20 30 DHEDHM COC(=O)c1sc(Nc2cc([O-])cc(Cl)c2)c(C#N)c1C ZINC001176621403 1035302099 /nfs/dbraw/zinc/30/20/99/1035302099.db2.gz ROJNZVUHIMAOKB-UHFFFAOYSA-N -1 3 322.773 3.817 20 30 DHEDHM O=C([C@@H]1CC[C@H](C(F)(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904177981 1035381882 /nfs/dbraw/zinc/38/18/82/1035381882.db2.gz VJWGABOGHGSGFH-MNOVXSKESA-N -1 3 305.271 3.522 20 30 DHEDHM O=C(C[C@H]1CCC2(CCC2)O1)N([O-])Cc1ccccc1Cl ZINC000904192797 1035383290 /nfs/dbraw/zinc/38/32/90/1035383290.db2.gz XDYDLVLFINJIPC-CYBMUJFWSA-N -1 3 309.793 3.550 20 30 DHEDHM O=C([C@H]1CCOC2(CCC2)C1)N([O-])CCCCc1ccccc1 ZINC000904192871 1035383390 /nfs/dbraw/zinc/38/33/90/1035383390.db2.gz ZDKTZVNHZMUQCU-KRWDZBQOSA-N -1 3 317.429 3.576 20 30 DHEDHM O=C([C@@H]1CC12CCSCC2)N([O-])Cc1ccccc1Cl ZINC000904193062 1035383520 /nfs/dbraw/zinc/38/35/20/1035383520.db2.gz KFLYQNHHMBSGEO-LBPRGKRZSA-N -1 3 311.834 3.591 20 30 DHEDHM O=C(c1ncsc1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904192152 1035383793 /nfs/dbraw/zinc/38/37/93/1035383793.db2.gz BWBKREZLSIVPDR-UHFFFAOYSA-N -1 3 308.790 3.706 20 30 DHEDHM CCCCN([O-])C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000904212777 1035386544 /nfs/dbraw/zinc/38/65/44/1035386544.db2.gz UNBNODODVNLWTE-OAHLLOKOSA-N -1 3 319.449 3.511 20 30 DHEDHM C=C(C)c1cccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC001179747871 1035498912 /nfs/dbraw/zinc/49/89/12/1035498912.db2.gz PNXIZAFTYZTSFO-UHFFFAOYSA-N -1 3 314.341 3.954 20 30 DHEDHM C#Cc1ccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)cc1F ZINC001193747674 1035730042 /nfs/dbraw/zinc/73/00/42/1035730042.db2.gz MZCXRTUCZZZZGW-UHFFFAOYSA-N -1 3 323.245 3.784 20 30 DHEDHM CCC(CC)(C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001181155213 1035854335 /nfs/dbraw/zinc/85/43/35/1035854335.db2.gz FZKMVZFZZPJLFA-UHFFFAOYSA-N -1 3 308.381 3.960 20 30 DHEDHM N#Cc1sccc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000906369751 1035940932 /nfs/dbraw/zinc/94/09/32/1035940932.db2.gz BMESDAOEDSTYBN-UHFFFAOYSA-N -1 3 318.427 3.771 20 30 DHEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C)C#N)cc1 ZINC001194640022 1035976411 /nfs/dbraw/zinc/97/64/11/1035976411.db2.gz ZPBOWJDGHQKPLU-AWEZNQCLSA-N -1 3 314.410 3.731 20 30 DHEDHM CCCCCCCC[C@H](C)C(=O)Nc1nc[n-]c1C(=O)OC ZINC001272350023 1036203796 /nfs/dbraw/zinc/20/37/96/1036203796.db2.gz KAGNSEDISGYZCU-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCCC[C@H](C)C(=O)Nc1[n-]cnc1C(=O)OC ZINC001272350023 1036203799 /nfs/dbraw/zinc/20/37/99/1036203799.db2.gz KAGNSEDISGYZCU-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM COc1ccc(C(C)(C)CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001182442111 1036300451 /nfs/dbraw/zinc/30/04/51/1036300451.db2.gz ULQYWYZHUPTQCI-UHFFFAOYSA-N -1 3 324.380 3.579 20 30 DHEDHM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001196692276 1036600486 /nfs/dbraw/zinc/60/04/86/1036600486.db2.gz AUWLIZOMAINSLP-UHFFFAOYSA-N -1 3 322.151 3.526 20 30 DHEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183917044 1036711080 /nfs/dbraw/zinc/71/10/80/1036711080.db2.gz SGYIZMAVKUIMOP-UHOFOFEASA-N -1 3 300.402 3.911 20 30 DHEDHM CCCCN([O-])C(=O)COc1ccc2oc3c(c2c1)CCCC3 ZINC001184314638 1036797107 /nfs/dbraw/zinc/79/71/07/1036797107.db2.gz DDDQQOHGRAFJHP-UHFFFAOYSA-N -1 3 317.385 3.708 20 30 DHEDHM CCCCN([O-])C(=O)c1ccc(Oc2ccc(C)cc2)cn1 ZINC001184315441 1036799177 /nfs/dbraw/zinc/79/91/77/1036799177.db2.gz ZOUQZCXSANKONE-UHFFFAOYSA-N -1 3 300.358 3.814 20 30 DHEDHM CCCn1ncc(C(=O)N([O-])Cc2cccc3ccccc32)c1C ZINC001184341191 1036818994 /nfs/dbraw/zinc/81/89/94/1036818994.db2.gz WBEIBYYUQNFMQO-UHFFFAOYSA-N -1 3 323.396 3.786 20 30 DHEDHM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1sccc1C#N ZINC000915809117 1037188706 /nfs/dbraw/zinc/18/87/06/1037188706.db2.gz LIUYFXKWVMJOLY-UHFFFAOYSA-N -1 3 315.379 3.897 20 30 DHEDHM CC(C)[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000763095739 1037253077 /nfs/dbraw/zinc/25/30/77/1037253077.db2.gz DZBQHGVVZVGCBP-BBSXFRJVSA-N -1 3 311.809 3.831 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cccc(C)c2C)c(OC)cc1[O-] ZINC000763107646 1037258949 /nfs/dbraw/zinc/25/89/49/1037258949.db2.gz VJJOSTIDCWMFLC-CMDGGOBGSA-N -1 3 312.365 3.922 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(C)cc(C)c2)c(OC)cc1[O-] ZINC000763106507 1037259335 /nfs/dbraw/zinc/25/93/35/1037259335.db2.gz VSQFZEOOXBUBKT-WAYWQWQTSA-N -1 3 312.365 3.922 20 30 DHEDHM Cc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001186267440 1037350704 /nfs/dbraw/zinc/35/07/04/1037350704.db2.gz QOMWKLPPMMYVIM-UHFFFAOYSA-N -1 3 320.270 3.843 20 30 DHEDHM CCOC(=O)c1cc(-c2cc([O-])cc(Cl)c2)ccc1C#N ZINC001235904845 1037552815 /nfs/dbraw/zinc/55/28/15/1037552815.db2.gz QXNNRPANHVHVAU-UHFFFAOYSA-N -1 3 301.729 3.761 20 30 DHEDHM COC(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000915980753 1037629169 /nfs/dbraw/zinc/62/91/69/1037629169.db2.gz BTJJOGMTEWDVKX-UHFFFAOYSA-N -1 3 304.733 3.975 20 30 DHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cncnc1C ZINC001201833943 1037915433 /nfs/dbraw/zinc/91/54/33/1037915433.db2.gz GLHCSQYWUXNYOY-UHFFFAOYSA-N -1 3 313.467 3.667 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=CSc2ccccc2)nc(C)n1 ZINC000916880766 1038017839 /nfs/dbraw/zinc/01/78/39/1038017839.db2.gz XRUXQUULIMIWCL-WHLNPGIBSA-N -1 3 309.394 3.576 20 30 DHEDHM CC#Cc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522312 1038030061 /nfs/dbraw/zinc/03/00/61/1038030061.db2.gz FPECYCBXJALRJU-UHFFFAOYSA-N -1 3 323.783 3.972 20 30 DHEDHM Cc1c(F)cccc1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001189023522 1038047046 /nfs/dbraw/zinc/04/70/46/1038047046.db2.gz FCKYBDZRVCFOMX-UHFFFAOYSA-N -1 3 316.336 3.935 20 30 DHEDHM N#CCCCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000588714295 1038329435 /nfs/dbraw/zinc/32/94/35/1038329435.db2.gz GZNGPMDAWMSJDK-UHFFFAOYSA-N -1 3 323.356 3.630 20 30 DHEDHM CCCCCCCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001191789772 1038547946 /nfs/dbraw/zinc/54/79/46/1038547946.db2.gz MVLBUDWPXMAJNX-UHFFFAOYSA-N -1 3 318.461 3.511 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000599615453 1039228008 /nfs/dbraw/zinc/22/80/08/1039228008.db2.gz ZWPCDJVNSLIWPH-IAGOWNOFSA-N -1 3 320.392 3.613 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(C4CC4)n3)nc21 ZINC000605363393 1039672374 /nfs/dbraw/zinc/67/23/74/1039672374.db2.gz XKCJZXDCLFKKFW-LLVKDONJSA-N -1 3 322.393 3.695 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000602245296 1040926694 /nfs/dbraw/zinc/92/66/94/1040926694.db2.gz JBQROSKBCFIYQS-UHFFFAOYSA-N -1 3 315.398 3.828 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000602344813 1040972664 /nfs/dbraw/zinc/97/26/64/1040972664.db2.gz WUJBZHYUVZBNIU-WCBMZHEXSA-N -1 3 315.398 3.854 20 30 DHEDHM C=C(C)[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000192790774 335039245 /nfs/dbraw/zinc/03/92/45/335039245.db2.gz UFAFFLVGWBJDFA-ZBEGNZNMSA-N -1 3 319.355 3.737 20 30 DHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cocn3)sc2[C@@H](C)C1 ZINC000297827712 132036048 /nfs/dbraw/zinc/03/60/48/132036048.db2.gz MMMRQKOAQUTOFK-BDAKNGLRSA-N -1 3 301.371 3.546 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000297952865 132042369 /nfs/dbraw/zinc/04/23/69/132042369.db2.gz VBBVZHIKQVWKQP-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM N#C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C1CC1 ZINC000601069813 435328159 /nfs/dbraw/zinc/32/81/59/435328159.db2.gz NKISHUNOTBKHFR-LLVKDONJSA-N -1 3 306.391 3.815 20 30 DHEDHM C[C@H]([N-]C(=O)C(C)(F)F)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000367963000 331645422 /nfs/dbraw/zinc/64/54/22/331645422.db2.gz ORDICOWPILKHQI-VIFPVBQESA-N -1 3 321.352 3.514 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cccc(OC(F)F)c1 ZINC000293590166 335109761 /nfs/dbraw/zinc/10/97/61/335109761.db2.gz ULLFSJFAXBCBIV-VIFPVBQESA-N -1 3 305.271 3.677 20 30 DHEDHM CC(C)(C)c1cccc(NC(=O)c2cccc(F)c2C#N)c1[O-] ZINC000427834971 332534693 /nfs/dbraw/zinc/53/46/93/332534693.db2.gz ZAKBRYYJIQVPCY-UHFFFAOYSA-N -1 3 312.344 3.953 20 30 DHEDHM CC(=O)c1csc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1 ZINC000171755034 333053881 /nfs/dbraw/zinc/05/38/81/333053881.db2.gz AKAXWJPFNDOHFZ-UHFFFAOYSA-N -1 3 316.407 3.625 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000294224057 335119378 /nfs/dbraw/zinc/11/93/78/335119378.db2.gz VIPOCOKHDRWOTO-VIFPVBQESA-N -1 3 305.271 3.677 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)o1 ZINC000410927547 333611120 /nfs/dbraw/zinc/61/11/20/333611120.db2.gz KKYRRPMYLQFDGL-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM CCc1ocnc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000265775766 333968495 /nfs/dbraw/zinc/96/84/95/333968495.db2.gz NWULSSORSIXGSQ-LLVKDONJSA-N -1 3 315.398 3.741 20 30 DHEDHM CN(CCCCC(C)(C)C#N)Cc1nc(=O)c2sccc2[n-]1 ZINC000278934523 334103950 /nfs/dbraw/zinc/10/39/50/334103950.db2.gz XQBGHKQOAIHHDM-UHFFFAOYSA-N -1 3 318.446 3.549 20 30 DHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000293408997 334197924 /nfs/dbraw/zinc/19/79/24/334197924.db2.gz RXDHBMVGPGBTEY-NSHDSACASA-N -1 3 305.403 3.544 20 30 DHEDHM C[C@@H](COCC(F)(F)F)/N=C/c1c([O-])ccc2ccccc21 ZINC000299297247 334254628 /nfs/dbraw/zinc/25/46/28/334254628.db2.gz NZDFPWKKXGKOJQ-FEQLDZPWSA-N -1 3 311.303 3.932 20 30 DHEDHM C=C(C)[C@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)OCC ZINC000534495102 334277509 /nfs/dbraw/zinc/27/75/09/334277509.db2.gz UDIQDGYNNDSYQC-ZDUSSCGKSA-N -1 3 317.307 3.721 20 30 DHEDHM CCc1nc(C(=O)[N-]c2sc(C)c(CC)c2C#N)c(C)o1 ZINC000341903095 334490517 /nfs/dbraw/zinc/49/05/17/334490517.db2.gz QGRSZPPDSYIJEC-UHFFFAOYSA-N -1 3 303.387 3.602 20 30 DHEDHM Cc1ccc([O-])c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n1 ZINC000330845158 334818495 /nfs/dbraw/zinc/81/84/95/334818495.db2.gz ULCRVQDPHKECCU-UHFFFAOYSA-N -1 3 316.405 3.807 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)c3ccccc3c2)nc(C)n1 ZINC000344731671 335271890 /nfs/dbraw/zinc/27/18/90/335271890.db2.gz PJHOSKXTBHAQTI-MRXNPFEDSA-N -1 3 319.339 3.876 20 30 DHEDHM Cc1csc([N-]C(=O)c2cc(-c3ccccc3)on2)c1C#N ZINC000344885605 335282764 /nfs/dbraw/zinc/28/27/64/335282764.db2.gz CIYSUPRRGBLOGW-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000346236072 335387078 /nfs/dbraw/zinc/38/70/78/335387078.db2.gz FYGNHOKGWWDKMD-AWEZNQCLSA-N -1 3 318.380 3.745 20 30 DHEDHM Cc1ccc([O-])c(NC(=O)c2scnc2C2CCCC2)n1 ZINC000329450994 335978196 /nfs/dbraw/zinc/97/81/96/335978196.db2.gz DRSGQGPXXZLOMV-UHFFFAOYSA-N -1 3 303.387 3.846 20 30 DHEDHM COc1cccc(-c2noc([N-][C@@H](C)c3cccc(C#N)c3)n2)c1 ZINC000301425087 336305940 /nfs/dbraw/zinc/30/59/40/336305940.db2.gz GKZBBZHLXJHIIL-LBPRGKRZSA-N -1 3 320.352 3.790 20 30 DHEDHM N#Cc1ccsc1C(=O)[N-]c1nc(-c2ccccc2F)co1 ZINC000369798895 336871876 /nfs/dbraw/zinc/87/18/76/336871876.db2.gz IGNKWTOHRCLEES-UHFFFAOYSA-N -1 3 313.313 3.666 20 30 DHEDHM N#CC(=C([O-])c1cc2c(s1)CCC2)c1nc2ccccc2[nH]1 ZINC000123434219 337048132 /nfs/dbraw/zinc/04/81/32/337048132.db2.gz OZRJQXHHFACFSB-LLVKDONJSA-N -1 3 307.378 3.603 20 30 DHEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000182413554 337188270 /nfs/dbraw/zinc/18/82/70/337188270.db2.gz XTQJFGNIOWOEKK-CQSZACIVSA-N -1 3 321.163 3.694 20 30 DHEDHM N#CC(=C([O-])c1ccc2ncccc2c1)c1cnc2ccccc2n1 ZINC000190885294 337290400 /nfs/dbraw/zinc/29/04/00/337290400.db2.gz DAKALEAFLMPLGT-HNNXBMFYSA-N -1 3 324.343 3.668 20 30 DHEDHM N#CC(=C([O-])c1cccc2c1CCC2)c1cnc2ccccc2n1 ZINC000190978592 337291959 /nfs/dbraw/zinc/29/19/59/337291959.db2.gz AODNGGPSLJISQO-MRXNPFEDSA-N -1 3 313.360 3.609 20 30 DHEDHM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000193254313 337309500 /nfs/dbraw/zinc/30/95/00/337309500.db2.gz KFRJJQDGJJNIMJ-KRWDZBQOSA-N -1 3 313.360 3.942 20 30 DHEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000431270928 338127086 /nfs/dbraw/zinc/12/70/86/338127086.db2.gz UKTCLNLJOOWGHO-CYBMUJFWSA-N -1 3 321.384 3.611 20 30 DHEDHM CCC(CC)c1nnc([N-]C(=O)c2cscc2C#N)s1 ZINC000432666667 338161939 /nfs/dbraw/zinc/16/19/39/338161939.db2.gz FHIHVBXQTYUQES-UHFFFAOYSA-N -1 3 306.416 3.627 20 30 DHEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436538371 338275943 /nfs/dbraw/zinc/27/59/43/338275943.db2.gz IDCVOUFUSDVGIT-UHFFFAOYSA-N -1 3 322.364 3.538 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)c([O-])c1 ZINC000436563873 338277359 /nfs/dbraw/zinc/27/73/59/338277359.db2.gz FOZKPILTMAEHMS-INIZCTEOSA-N -1 3 312.344 3.649 20 30 DHEDHM C=CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436769729 338286671 /nfs/dbraw/zinc/28/66/71/338286671.db2.gz ZRRJQUWLZBOMNQ-UHFFFAOYSA-N -1 3 321.420 3.968 20 30 DHEDHM C=CCc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1O ZINC000436933621 338294170 /nfs/dbraw/zinc/29/41/70/338294170.db2.gz QPUAHBYQNALTOE-YVMONPNESA-N -1 3 324.380 3.673 20 30 DHEDHM CC[C@@H](CC#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436964273 338296115 /nfs/dbraw/zinc/29/61/15/338296115.db2.gz HWCSYXBEESZHQU-KRWDZBQOSA-N -1 3 322.408 3.599 20 30 DHEDHM CN(CC(C)(C)C#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436989166 338297030 /nfs/dbraw/zinc/29/70/30/338297030.db2.gz YUBVLOCPKSTBAS-UHFFFAOYSA-N -1 3 322.408 3.605 20 30 DHEDHM C=CC[C@@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CCCC1(C)C ZINC000451220202 338726371 /nfs/dbraw/zinc/72/63/71/338726371.db2.gz WJECXTRVAVYHDP-INIZCTEOSA-N -1 3 305.393 3.667 20 30 DHEDHM CCCOc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1 ZINC000459561912 339035884 /nfs/dbraw/zinc/03/58/84/339035884.db2.gz NYAMIDCEYJSLJR-UHFFFAOYSA-N -1 3 316.386 3.756 20 30 DHEDHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(C#N)c1 ZINC000461923975 339068766 /nfs/dbraw/zinc/06/87/66/339068766.db2.gz RQMLVUDMBIRNLX-JTQLQIEISA-N -1 3 300.745 3.659 20 30 DHEDHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(C#N)c1 ZINC000461923976 339068813 /nfs/dbraw/zinc/06/88/13/339068813.db2.gz RQMLVUDMBIRNLX-SNVBAGLBSA-N -1 3 300.745 3.659 20 30 DHEDHM N#CCCN(Cc1ccco1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471951069 339358234 /nfs/dbraw/zinc/35/82/34/339358234.db2.gz CHKMPBHZBRBWAB-UHFFFAOYSA-N -1 3 320.348 3.694 20 30 DHEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496356378 340003730 /nfs/dbraw/zinc/00/37/30/340003730.db2.gz DWVKVEJXAPIKGV-LLVKDONJSA-N -1 3 321.377 3.661 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496356378 340003731 /nfs/dbraw/zinc/00/37/31/340003731.db2.gz DWVKVEJXAPIKGV-LLVKDONJSA-N -1 3 321.377 3.661 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)COc2ccc(C#N)cc2)c([O-])c1 ZINC000501944237 340091228 /nfs/dbraw/zinc/09/12/28/340091228.db2.gz DZPNWMJQTKTXCC-UHFFFAOYSA-N -1 3 324.380 3.579 20 30 DHEDHM C=C(C)CCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000505486443 340169434 /nfs/dbraw/zinc/16/94/34/340169434.db2.gz JHDLKCCBSHZPRJ-UHFFFAOYSA-N -1 3 312.398 3.579 20 30 DHEDHM C=C(C)[C@H](CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])OCC ZINC000506231279 340189327 /nfs/dbraw/zinc/18/93/27/340189327.db2.gz NIXGLYYXUMBVSG-INIZCTEOSA-N -1 3 305.418 4.000 20 30 DHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])OCC ZINC000506231280 340189431 /nfs/dbraw/zinc/18/94/31/340189431.db2.gz NIXGLYYXUMBVSG-MRXNPFEDSA-N -1 3 305.418 4.000 20 30 DHEDHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000189040894 340525162 /nfs/dbraw/zinc/52/51/62/340525162.db2.gz XRGCJEUBTZGUHQ-UHFFFAOYSA-N -1 3 318.373 3.622 20 30 DHEDHM N#C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000737676995 599172239 /nfs/dbraw/zinc/17/22/39/599172239.db2.gz YLZQLJVTGDMZMJ-AWEZNQCLSA-N -1 3 317.393 3.570 20 30 DHEDHM N#C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000737676995 599172240 /nfs/dbraw/zinc/17/22/40/599172240.db2.gz YLZQLJVTGDMZMJ-AWEZNQCLSA-N -1 3 317.393 3.570 20 30 DHEDHM C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137398 598649515 /nfs/dbraw/zinc/64/95/15/598649515.db2.gz KCRHUVFPUGMLRA-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137398 598649516 /nfs/dbraw/zinc/64/95/16/598649516.db2.gz KCRHUVFPUGMLRA-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136254 599406026 /nfs/dbraw/zinc/40/60/26/599406026.db2.gz FQBRPSNMIZRTGR-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136254 599406027 /nfs/dbraw/zinc/40/60/27/599406027.db2.gz FQBRPSNMIZRTGR-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM CC(C)CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(C#N)cc1 ZINC000736432945 599848996 /nfs/dbraw/zinc/84/89/96/599848996.db2.gz VYNOXTVYOQNCHG-UHFFFAOYSA-N -1 3 312.369 3.508 20 30 DHEDHM CC(C)(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736297577 600596738 /nfs/dbraw/zinc/59/67/38/600596738.db2.gz IUCCXWPCXKWWKW-SFHVURJKSA-N -1 3 322.408 3.771 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196244 607460131 /nfs/dbraw/zinc/46/01/31/607460131.db2.gz AXTRCYINRONVNO-WAYWQWQTSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196244 607460132 /nfs/dbraw/zinc/46/01/32/607460132.db2.gz AXTRCYINRONVNO-WAYWQWQTSA-N -1 3 322.343 3.519 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000827718467 601297706 /nfs/dbraw/zinc/29/77/06/601297706.db2.gz SVBFHPAWSVNERM-BZNIZROVSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000825502803 604304435 /nfs/dbraw/zinc/30/44/35/604304435.db2.gz KWDCGWYXRSDWKA-UONOGXRCSA-N -1 3 323.396 3.738 20 30 DHEDHM Cc1cc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822193250 606304286 /nfs/dbraw/zinc/30/42/86/606304286.db2.gz PRXICUCRTFZJCK-SNAWJCMRSA-N -1 3 324.409 3.750 20 30 DHEDHM Cc1cc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822193250 606304287 /nfs/dbraw/zinc/30/42/87/606304287.db2.gz PRXICUCRTFZJCK-SNAWJCMRSA-N -1 3 324.409 3.750 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc2ccccc2o1 ZINC000822922553 606388104 /nfs/dbraw/zinc/38/81/04/606388104.db2.gz HIMSQWXCGMXRGM-FNORWQNLSA-N -1 3 322.349 3.571 20 30 DHEDHM C#CC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823839141 607936448 /nfs/dbraw/zinc/93/64/48/607936448.db2.gz ZYPRAHDEURPKPL-MRXNPFEDSA-N -1 3 323.787 3.697 20 30 DHEDHM C#CC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823839141 607936449 /nfs/dbraw/zinc/93/64/49/607936449.db2.gz ZYPRAHDEURPKPL-MRXNPFEDSA-N -1 3 323.787 3.697 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000826304974 608318448 /nfs/dbraw/zinc/31/84/48/608318448.db2.gz GESCKWISGNAARF-QOUOVQQFSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000826304974 608318449 /nfs/dbraw/zinc/31/84/49/608318449.db2.gz GESCKWISGNAARF-QOUOVQQFSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826281501 608877047 /nfs/dbraw/zinc/87/70/47/608877047.db2.gz VOUPRYIGUHCXGT-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826281501 608877050 /nfs/dbraw/zinc/87/70/50/608877050.db2.gz VOUPRYIGUHCXGT-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM C=CCC[C@H](C)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573334534 947457542 /nfs/dbraw/zinc/45/75/42/947457542.db2.gz NOJZZPMFSMZPEK-LBPRGKRZSA-N -1 3 315.421 3.811 20 30 DHEDHM C=CCC[C@H](C)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573334534 947457549 /nfs/dbraw/zinc/45/75/49/947457549.db2.gz NOJZZPMFSMZPEK-LBPRGKRZSA-N -1 3 315.421 3.811 20 30 DHEDHM C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC001589175304 956494116 /nfs/dbraw/zinc/49/41/16/956494116.db2.gz XLKFMYPYXQAQMH-NSHDSACASA-N -1 3 300.383 3.511 20 30 DHEDHM COCCOc1cccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231209 1013288000 /nfs/dbraw/zinc/28/80/00/1013288000.db2.gz JWCMRCFSWWZOJO-VURMDHGXSA-N -1 3 312.365 3.622 20 30 DHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)c2cccnc2c1C ZINC000255068252 1013622076 /nfs/dbraw/zinc/62/20/76/1013622076.db2.gz LTOVFENFTJQXHP-UHFFFAOYSA-N -1 3 308.337 3.719 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cccc(Oc3ccccn3)c2)c1O ZINC000255085996 1013661364 /nfs/dbraw/zinc/66/13/64/1013661364.db2.gz FDFLPAXOUZTURP-UHFFFAOYSA-N -1 3 322.320 3.741 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000610366431 1013996329 /nfs/dbraw/zinc/99/63/29/1013996329.db2.gz BCXKFISRXUMDJK-CYBMUJFWSA-N -1 3 308.381 3.878 20 30 DHEDHM CC(C)c1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001591988103 976615049 /nfs/dbraw/zinc/61/50/49/976615049.db2.gz VSBSACYIMJRCPG-SFHVURJKSA-N -1 3 308.381 3.597 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(F)c(C)c2)c(OC)cc1[O-] ZINC000255268747 1014577871 /nfs/dbraw/zinc/57/78/71/1014577871.db2.gz GYDNQZXEEPPRNZ-ALCCZGGFSA-N -1 3 316.328 3.753 20 30 DHEDHM C=CCCCN(CC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000903961411 981077303 /nfs/dbraw/zinc/07/73/03/981077303.db2.gz VIKCXEPQIFZXCS-UHFFFAOYSA-N -1 3 314.385 3.828 20 30 DHEDHM C#C[C@H](N[C@H]1CCC[C@@H](CCCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588377591 983357955 /nfs/dbraw/zinc/35/79/55/983357955.db2.gz NIKHDDMERIANGP-WBAXXEDZSA-N -1 3 317.404 3.903 20 30 DHEDHM O=C1c2cccc([O-])c2C/C1=C/c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000588459339 1015713380 /nfs/dbraw/zinc/71/33/80/1015713380.db2.gz KEAACHMBMDBZOW-POHAHGRESA-N -1 3 315.712 3.776 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)ccc1[O-] ZINC000728440734 1016169789 /nfs/dbraw/zinc/16/97/89/1016169789.db2.gz SZTCCRHNRAQSJL-GQCTYLIASA-N -1 3 311.168 3.637 20 30 DHEDHM N#CCc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168527006 1016452160 /nfs/dbraw/zinc/45/21/60/1016452160.db2.gz BCJZGQLHBNMFGG-UHFFFAOYSA-N -1 3 324.771 3.667 20 30 DHEDHM CCSCc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000840710197 1016569388 /nfs/dbraw/zinc/56/93/88/1016569388.db2.gz QFRIKCKHILDTHI-UHFFFAOYSA-N -1 3 316.426 3.592 20 30 DHEDHM C[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)c2c([O-])cccc21 ZINC000346848411 1016593444 /nfs/dbraw/zinc/59/34/44/1016593444.db2.gz QMLCNOASNRIYPZ-LLVKDONJSA-N -1 3 310.328 3.557 20 30 DHEDHM Cc1c(C#N)ccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528325 1016950788 /nfs/dbraw/zinc/95/07/88/1016950788.db2.gz SXUYXDOUNYBHOK-UHFFFAOYSA-N -1 3 324.771 3.781 20 30 DHEDHM N#CC(=C([O-])c1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000362127821 1032243232 /nfs/dbraw/zinc/24/32/32/1032243232.db2.gz BMHSJXRCOKWQSI-GFCCVEGCSA-N -1 3 308.234 3.730 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000362133099 1032245159 /nfs/dbraw/zinc/24/51/59/1032245159.db2.gz GFXWIUBLCSPEEZ-CYBMUJFWSA-N -1 3 304.271 3.899 20 30 DHEDHM N#Cc1cccc(C(F)(F)F)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC001146922696 1032261322 /nfs/dbraw/zinc/26/13/22/1032261322.db2.gz VHJVNDIOHWNJIN-UHFFFAOYSA-N -1 3 321.258 3.695 20 30 DHEDHM CCc1nc(CN[C@@H](CC)c2cccc(C#N)c2[O-])cs1 ZINC000925000993 1012633400 /nfs/dbraw/zinc/63/34/00/1012633400.db2.gz XAHIUAYJNLRSQA-AWEZNQCLSA-N -1 3 301.415 3.524 20 30 DHEDHM Cc1cc(OC(F)F)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000114617823 1018107126 /nfs/dbraw/zinc/10/71/26/1018107126.db2.gz JWVMZBOPKGVGKH-VIFPVBQESA-N -1 3 308.309 3.543 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(C2CCC2)cc1 ZINC000447287861 1018361445 /nfs/dbraw/zinc/36/14/45/1018361445.db2.gz QBKOLUVDDDZKLE-UHFFFAOYSA-N -1 3 301.415 3.730 20 30 DHEDHM COc1cc(/C=C\C(=O)c2ccc(Cl)nc2)cc(Cl)c1[O-] ZINC000255571439 1018579550 /nfs/dbraw/zinc/57/95/50/1018579550.db2.gz UKFDXEFFZXLLNB-RQOWECAXSA-N -1 3 324.163 3.999 20 30 DHEDHM COCCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255593388 1019319390 /nfs/dbraw/zinc/31/93/90/1019319390.db2.gz PQQZTJQVGNQZJW-UHFFFAOYSA-N -1 3 305.761 3.821 20 30 DHEDHM COc1nc(C)cc(C)c1C/N=C/c1cc(Cl)ccc1[O-] ZINC000727263459 1019678534 /nfs/dbraw/zinc/67/85/34/1019678534.db2.gz AIVGAJQFQJRZEP-QGMBQPNBSA-N -1 3 304.777 3.685 20 30 DHEDHM N#Cc1ccc(CCNc2[n-]c(=O)c(Cl)cc2Cl)cc1 ZINC001167676644 1019681331 /nfs/dbraw/zinc/68/13/31/1019681331.db2.gz BHMWEBABDSOXGA-UHFFFAOYSA-N -1 3 308.168 3.620 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000730586934 1020008007 /nfs/dbraw/zinc/00/80/07/1020008007.db2.gz LPJJYGYPMHWQJC-HKLRHMNMSA-N -1 3 311.356 3.981 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccccc1Cl ZINC000740763919 1020949106 /nfs/dbraw/zinc/94/91/06/1020949106.db2.gz UBPCUBHKPZCJFB-VHXYRJIDSA-N -1 3 310.180 3.852 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](CC2CC2)c2ccccc2)c1[O-] ZINC000741843211 1021060257 /nfs/dbraw/zinc/06/02/57/1021060257.db2.gz JYPOJTGOTRCJRP-DUQUIBLKSA-N -1 3 310.397 3.548 20 30 DHEDHM Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cc1C#N ZINC001168523014 1021204784 /nfs/dbraw/zinc/20/47/84/1021204784.db2.gz YEZKRQBBVXPAOM-UHFFFAOYSA-N -1 3 324.771 3.781 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC001202403447 1021253707 /nfs/dbraw/zinc/25/37/07/1021253707.db2.gz JAXPDOXPHYSAOQ-UHFFFAOYSA-N -1 3 310.235 3.518 20 30 DHEDHM CCCCCCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745654124 1021755335 /nfs/dbraw/zinc/75/53/35/1021755335.db2.gz UJYIGHPSLDAPGA-UHFFFAOYSA-N -1 3 309.362 3.698 20 30 DHEDHM C[C@H](C#N)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746080370 1021843055 /nfs/dbraw/zinc/84/30/55/1021843055.db2.gz WXJKFVMQRNFJPW-SNVBAGLBSA-N -1 3 301.729 3.781 20 30 DHEDHM COc1cc(C=NN[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000920386205 1022112728 /nfs/dbraw/zinc/11/27/28/1022112728.db2.gz UCCAMWHGYLXSDJ-LLVKDONJSA-N -1 3 304.777 3.739 20 30 DHEDHM CCSC1(C/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000852998904 1022193211 /nfs/dbraw/zinc/19/32/11/1022193211.db2.gz TXRFYUOOQPLSLM-NVNXTCNLSA-N -1 3 314.248 3.859 20 30 DHEDHM CCCCCCCCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213150 1022248723 /nfs/dbraw/zinc/24/87/23/1022248723.db2.gz QMGUBLBVLZLZDL-UHFFFAOYSA-N -1 3 319.449 3.992 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1COC2(CCCCCC2)O1 ZINC000776725186 1022443551 /nfs/dbraw/zinc/44/35/51/1022443551.db2.gz FXYLZJIEYUPAGG-GDXCHIGESA-N -1 3 323.820 3.930 20 30 DHEDHM COc1ccc2c(c1)[C@@H](/N=C\c1cc(Cl)ccc1[O-])CCO2 ZINC000767337363 1022688404 /nfs/dbraw/zinc/68/84/04/1022688404.db2.gz KGRPQZRWMOTAAS-HNIBHBHRSA-N -1 3 317.772 3.997 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2-c2ccccc2)ccc1[O-] ZINC000771525504 1023448898 /nfs/dbraw/zinc/44/88/98/1023448898.db2.gz CWOPTUVEMUBCAS-PKNBQFBNSA-N -1 3 318.376 3.997 20 30 DHEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])Nc1ccc(Cl)cc1 ZINC000066887641 1023645377 /nfs/dbraw/zinc/64/53/77/1023645377.db2.gz MYNFRDQFJQFCIR-QGMBQPNBSA-N -1 3 323.179 3.757 20 30 DHEDHM C#CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000786844655 1023732665 /nfs/dbraw/zinc/73/26/65/1023732665.db2.gz QZCGLYMJHJXJNT-UHFFFAOYSA-N -1 3 317.404 3.649 20 30 DHEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccccn2)nn1C(C)(C)C ZINC000049458772 1023854679 /nfs/dbraw/zinc/85/46/79/1023854679.db2.gz XUOCHNOVOVHZCG-ZDUSSCGKSA-N -1 3 310.401 3.647 20 30 DHEDHM CCCN(CC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094034687 1024091081 /nfs/dbraw/zinc/09/10/81/1024091081.db2.gz XGVCIOMGRDOQEQ-UHFFFAOYSA-N -1 3 322.408 3.553 20 30 DHEDHM C#CCOc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000791362021 1024484123 /nfs/dbraw/zinc/48/41/23/1024484123.db2.gz YZFBWRSZWJUMOH-UHFFFAOYSA-N -1 3 323.373 3.871 20 30 DHEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)cc(C(F)(F)F)c1 ZINC000792568069 1024690221 /nfs/dbraw/zinc/69/02/21/1024690221.db2.gz CCJWHDQRWHGSJY-UHFFFAOYSA-N -1 3 324.302 3.666 20 30 DHEDHM C=C(Cl)CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134932588 1025144252 /nfs/dbraw/zinc/14/42/52/1025144252.db2.gz RWYCFIOGEJXQCC-SSDOTTSWSA-N -1 3 308.578 3.697 20 30 DHEDHM Cc1ccc(-c2cncc(C([O-])=C(C#N)c3ccccn3)c2)cc1 ZINC000124515339 1025433010 /nfs/dbraw/zinc/43/30/10/1025433010.db2.gz ABQFBYQTMCKGFL-GOSISDBHSA-N -1 3 313.360 3.942 20 30 DHEDHM C[C@H](C#N)Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000806564973 1025926477 /nfs/dbraw/zinc/92/64/77/1025926477.db2.gz XJOAVSRKMWIOAM-QXYGSRGCSA-N -1 3 307.353 3.521 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](CC(C)C)c2ccccc2)c1[O-] ZINC000747712812 1026996877 /nfs/dbraw/zinc/99/68/77/1026996877.db2.gz FVABJMZKNPZPTA-UTYYKHSJSA-N -1 3 312.413 3.794 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc(F)c1C#N ZINC000811688369 1027062885 /nfs/dbraw/zinc/06/28/85/1027062885.db2.gz OEPQGVIUAMDMGZ-MXFUOJGSSA-N -1 3 311.287 3.925 20 30 DHEDHM C#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000812749299 1027388275 /nfs/dbraw/zinc/38/82/75/1027388275.db2.gz KFAQKHRHZZFHLV-GOSISDBHSA-N -1 3 319.335 3.789 20 30 DHEDHM C[C@@H](NCc1ccc(C#N)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774372188 1027764772 /nfs/dbraw/zinc/76/47/72/1027764772.db2.gz WFYMDEKWSZDTQY-SECBINFHSA-N -1 3 322.195 3.816 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000814977089 1028315486 /nfs/dbraw/zinc/31/54/86/1028315486.db2.gz AJAYVVUOHGDXTQ-VIFPVBQESA-N -1 3 323.261 3.974 20 30 DHEDHM CC(C)(CC#N)CSc1nnc([N-]c2ccccc2F)s1 ZINC000566497585 1028736872 /nfs/dbraw/zinc/73/68/72/1028736872.db2.gz ZKSUJSFVXGPISP-UHFFFAOYSA-N -1 3 322.434 4.453 20 30 DHEDHM C#C[C@@H]([N-]c1nc(C(C)(C)OC)ns1)c1ccc(Cl)cc1 ZINC000865819555 1030039462 /nfs/dbraw/zinc/03/94/62/1030039462.db2.gz OIUXMWROXVVRAO-GFCCVEGCSA-N -1 3 321.833 3.859 20 30 DHEDHM CCC(CC)c1nnc([N-]C(=O)c2cc(C#N)ccc2F)s1 ZINC000823115199 1030213194 /nfs/dbraw/zinc/21/31/94/1030213194.db2.gz FJEPWDJPAHJZCT-UHFFFAOYSA-N -1 3 318.377 3.705 20 30 DHEDHM CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1cccc(C#N)c1[O-])CCC2 ZINC000866340484 1030239380 /nfs/dbraw/zinc/23/93/80/1030239380.db2.gz JUBVKAZHWKLFQM-CXAGYDPISA-N -1 3 324.428 3.769 20 30 DHEDHM CN(C)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794939824 1030421588 /nfs/dbraw/zinc/42/15/88/1030421588.db2.gz UMAQKCBYGNDQQM-CLFYSBASSA-N -1 3 303.308 3.633 20 30 DHEDHM Cc1cc([O-])c(CN(CCC#N)Cc2cccnc2)cc1Cl ZINC000824498306 1030576866 /nfs/dbraw/zinc/57/68/66/1030576866.db2.gz ZSOQIEKFLGIOHR-UHFFFAOYSA-N -1 3 315.804 3.665 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000846547548 1031998136 /nfs/dbraw/zinc/99/81/36/1031998136.db2.gz AOHJIISFTXDEQI-OAHLLOKOSA-N -1 3 303.402 3.587 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000846554255 1032002823 /nfs/dbraw/zinc/00/28/23/1032002823.db2.gz IYSUAFJGZPHXQA-VIFPVBQESA-N -1 3 313.369 3.703 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000846537628 1032003403 /nfs/dbraw/zinc/00/34/03/1032003403.db2.gz NYYRELIXSPUSJQ-NSHDSACASA-N -1 3 301.308 3.823 20 30 DHEDHM C=CCN(Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000862233199 1033789452 /nfs/dbraw/zinc/78/94/52/1033789452.db2.gz SOPBQIMHOXZPBA-UHFFFAOYSA-N -1 3 324.140 3.705 20 30 DHEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(C#N)cc2Cl)n1 ZINC000339036477 1033834039 /nfs/dbraw/zinc/83/40/39/1033834039.db2.gz SXGRSPOTYNKNKG-VIFPVBQESA-N -1 3 305.790 3.869 20 30 DHEDHM C#CC[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000862571366 1033895413 /nfs/dbraw/zinc/89/54/13/1033895413.db2.gz SAIWQKHLNJCZKF-HNNXBMFYSA-N -1 3 321.376 3.670 20 30 DHEDHM CO[C@@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125175 1034000667 /nfs/dbraw/zinc/00/06/67/1034000667.db2.gz OYBWXOWPCIARMG-LLVKDONJSA-N -1 3 302.403 3.649 20 30 DHEDHM FCC1(CF)CC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125517 1034002470 /nfs/dbraw/zinc/00/24/70/1034002470.db2.gz YCEIRLKNHANTFV-UHFFFAOYSA-N -1 3 308.357 3.779 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2cc(F)c(F)c(F)c2)c1F ZINC000794513026 1034061843 /nfs/dbraw/zinc/06/18/43/1034061843.db2.gz DXGNMKXMNNOZSO-UHFFFAOYSA-N -1 3 302.202 3.534 20 30 DHEDHM Cc1cc2ccccc2nc1NN=Cc1c(F)ccc([O-])c1F ZINC000794527377 1034099808 /nfs/dbraw/zinc/09/98/08/1034099808.db2.gz YVNZIWFNGYXVJA-UHFFFAOYSA-N -1 3 313.307 3.973 20 30 DHEDHM Cc1cc2ccccc2[nH]c1=NN=Cc1c(F)ccc([O-])c1F ZINC000794527377 1034099817 /nfs/dbraw/zinc/09/98/17/1034099817.db2.gz YVNZIWFNGYXVJA-UHFFFAOYSA-N -1 3 313.307 3.973 20 30 DHEDHM Cc1ccc(-c2cccnc2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000794834197 1034564235 /nfs/dbraw/zinc/56/42/35/1034564235.db2.gz RUIVGIJYLFYZDY-UHFFFAOYSA-N -1 3 320.348 3.924 20 30 DHEDHM C=CCC[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000188555045 1034744547 /nfs/dbraw/zinc/74/45/47/1034744547.db2.gz PKSAEQAXHFGGCS-LLVKDONJSA-N -1 3 324.306 3.512 20 30 DHEDHM C=CCC[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000188555045 1034744558 /nfs/dbraw/zinc/74/45/58/1034744558.db2.gz PKSAEQAXHFGGCS-LLVKDONJSA-N -1 3 324.306 3.512 20 30 DHEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2n1 ZINC000899895054 1034951100 /nfs/dbraw/zinc/95/11/00/1034951100.db2.gz FJVSFOKIINUEIW-UHFFFAOYSA-N -1 3 310.328 3.714 20 30 DHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000128629234 1035051356 /nfs/dbraw/zinc/05/13/56/1035051356.db2.gz HBCRKDVDMXZJNC-INIZCTEOSA-N -1 3 324.380 3.892 20 30 DHEDHM O=C(c1conc1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000904178730 1035378053 /nfs/dbraw/zinc/37/80/53/1035378053.db2.gz SJDCBBYKXSYJSK-UHFFFAOYSA-N -1 3 304.321 3.503 20 30 DHEDHM CC[C@@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000904170396 1035380649 /nfs/dbraw/zinc/38/06/49/1035380649.db2.gz BVJILQBGJKBFGO-NVXWUHKLSA-N -1 3 313.397 3.763 20 30 DHEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CCC1=O ZINC000904170288 1035380718 /nfs/dbraw/zinc/38/07/18/1035380718.db2.gz BAKCVXWAKCICKO-HIFRSBDPSA-N -1 3 311.381 3.563 20 30 DHEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CCC1=O ZINC000904170292 1035380858 /nfs/dbraw/zinc/38/08/58/1035380858.db2.gz BAKCVXWAKCICKO-UKRRQHHQSA-N -1 3 311.381 3.563 20 30 DHEDHM O=C([C@H]1CCCC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC000904192836 1035384000 /nfs/dbraw/zinc/38/40/00/1035384000.db2.gz CWYLEDMRRZFDAQ-JTQLQIEISA-N -1 3 303.736 3.883 20 30 DHEDHM O=C(C#Cc1ccc(F)cc1F)Nc1cc2ccccc2cc1[O-] ZINC001178573929 1035437932 /nfs/dbraw/zinc/43/79/32/1035437932.db2.gz YFNVBDYAWPWGDH-UHFFFAOYSA-N -1 3 323.298 3.814 20 30 DHEDHM C=C(C)C[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485092601 1035472585 /nfs/dbraw/zinc/47/25/85/1035472585.db2.gz LPMBRVTZCNJGOM-NSHDSACASA-N -1 3 310.357 3.759 20 30 DHEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2cccc(Cl)c2)cc1 ZINC001193151970 1035576715 /nfs/dbraw/zinc/57/67/15/1035576715.db2.gz XROMKCHXAPARHN-LLVKDONJSA-N -1 3 320.801 3.661 20 30 DHEDHM CC1(C)CCc2sc([N-]C(=O)c3nccs3)c(C#N)c21 ZINC000906261792 1035891009 /nfs/dbraw/zinc/89/10/09/1035891009.db2.gz AVISGFLLPOCQLF-UHFFFAOYSA-N -1 3 303.412 3.552 20 30 DHEDHM N#Cc1c([N-]C(=O)c2c(F)cncc2Cl)sc2c1CCC2 ZINC001195468507 1036262175 /nfs/dbraw/zinc/26/21/75/1036262175.db2.gz PYXPRMZAVMDEPF-UHFFFAOYSA-N -1 3 321.764 3.548 20 30 DHEDHM COc1cc(/C=C/C(=O)c2scnc2C)cc(Cl)c1[O-] ZINC000915054196 1036580570 /nfs/dbraw/zinc/58/05/70/1036580570.db2.gz OQHYJERDSWOCPM-ONEGZZNKSA-N -1 3 309.774 3.715 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1cccc(Cl)c1 ZINC000915114686 1036649119 /nfs/dbraw/zinc/64/91/19/1036649119.db2.gz OWTYZMAXLMZUGQ-VHXYRJIDSA-N -1 3 310.180 3.852 20 30 DHEDHM Cc1cc(Br)oc1C(=O)[N-]c1ccsc1C#N ZINC001197319093 1036737268 /nfs/dbraw/zinc/73/72/68/1036737268.db2.gz SCYUWVBYJOZLIM-UHFFFAOYSA-N -1 3 311.160 3.536 20 30 DHEDHM CCCCCCN([O-])C(=O)c1nc(C)ccc1Br ZINC001184314900 1036796106 /nfs/dbraw/zinc/79/61/06/1036796106.db2.gz NZICGZUCLSBXJI-UHFFFAOYSA-N -1 3 315.211 3.564 20 30 DHEDHM O=C(c1cc2ncccc2o1)N([O-])Cc1ccccc1Cl ZINC001184293157 1036808268 /nfs/dbraw/zinc/80/82/68/1036808268.db2.gz HGEUDZRYEMJTHV-UHFFFAOYSA-N -1 3 302.717 3.513 20 30 DHEDHM O=C(c1cncc(Cl)c1)N([O-])Cc1cccc2ccccc21 ZINC001184339527 1036818698 /nfs/dbraw/zinc/81/86/98/1036818698.db2.gz GVIPXTFPDCNJIV-UHFFFAOYSA-N -1 3 312.756 3.920 20 30 DHEDHM [O-]/N=C1/CCc2cc(N[C@H](c3ccccn3)C(F)(F)F)ccc21 ZINC001168491939 1036855064 /nfs/dbraw/zinc/85/50/64/1036855064.db2.gz RDHZSACTRWQPAT-VUZLNAKASA-N -1 3 321.302 3.922 20 30 DHEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000488211634 1036907942 /nfs/dbraw/zinc/90/79/42/1036907942.db2.gz AVVMCAMMRVQZDB-GFCCVEGCSA-N -1 3 307.378 3.774 20 30 DHEDHM CC(C)Oc1cnccc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001199157023 1037208945 /nfs/dbraw/zinc/20/89/45/1037208945.db2.gz TZHWMBQAOMBSOF-UHFFFAOYSA-N -1 3 321.336 3.739 20 30 DHEDHM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c(Cl)n1 ZINC001199702394 1037309009 /nfs/dbraw/zinc/30/90/09/1037309009.db2.gz BJVUBMWQWBHNOT-UHFFFAOYSA-N -1 3 315.760 3.688 20 30 DHEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1cc(F)ccc1[O-] ZINC000915923361 1037607960 /nfs/dbraw/zinc/60/79/60/1037607960.db2.gz NGCIJDVHXLRZQF-UHFFFAOYSA-N -1 3 317.389 3.550 20 30 DHEDHM CSc1ncc(Cl)cc1C=C([O-])c1cccc(C#N)c1 ZINC001250289988 1037979793 /nfs/dbraw/zinc/97/97/93/1037979793.db2.gz KXZUJNHHNBCYJZ-UHFFFAOYSA-N -1 3 302.786 3.754 20 30 DHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001189740045 1038199512 /nfs/dbraw/zinc/19/95/12/1038199512.db2.gz CUTKATDNVNWBRD-JTQLQIEISA-N -1 3 322.257 3.935 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)CC1 ZINC001190762895 1038375229 /nfs/dbraw/zinc/37/52/29/1038375229.db2.gz YKLWPSPRMIYJKV-UHFFFAOYSA-N -1 3 323.311 3.695 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)cc3cnccc32)CC1 ZINC001190814907 1038397512 /nfs/dbraw/zinc/39/75/12/1038397512.db2.gz SFQBGOWKTBYZCH-UHFFFAOYSA-N -1 3 322.817 3.739 20 30 DHEDHM N#Cc1ccc([N-]S(=O)(=O)CC2CCCC2)c2ccccc12 ZINC001191477545 1038507941 /nfs/dbraw/zinc/50/79/41/1038507941.db2.gz YPGSEWZOJMOLAM-UHFFFAOYSA-N -1 3 314.410 3.643 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2csc3cnccc23)c(F)c1 ZINC001191907354 1038559824 /nfs/dbraw/zinc/55/98/24/1038559824.db2.gz NMXJHGMQOBZCLR-UHFFFAOYSA-N -1 3 315.304 3.698 20 30 DHEDHM COc1ccc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1 ZINC000593995883 1039928372 /nfs/dbraw/zinc/92/83/72/1039928372.db2.gz CVXGFRDNJPMOML-UHFFFAOYSA-N -1 3 304.371 3.771 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2c(c1)ncn2C ZINC000761200272 1040580141 /nfs/dbraw/zinc/58/01/41/1040580141.db2.gz OLHFALPAJPQMKC-QVIVLVACSA-N -1 3 322.339 3.801 20 30 DHEDHM C=CC1CCN(C(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC000190366673 334926191 /nfs/dbraw/zinc/92/61/91/334926191.db2.gz NPVUFDPGSAWLDF-UHFFFAOYSA-N -1 3 303.402 3.609 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2ocnc2C2CC2)c1C#N ZINC000563748589 334985440 /nfs/dbraw/zinc/98/54/40/334985440.db2.gz WMKULPGIHTZJCS-UHFFFAOYSA-N -1 3 301.371 3.608 20 30 DHEDHM CCc1nnsc1C(=O)[N-]c1sc(C(C)(C)C)cc1C#N ZINC000297942350 132041188 /nfs/dbraw/zinc/04/11/88/132041188.db2.gz ZYTMWVBASKKNFT-UHFFFAOYSA-N -1 3 320.443 3.583 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)s1 ZINC000130629279 196096874 /nfs/dbraw/zinc/09/68/74/196096874.db2.gz LXDJXGXDDRCOSS-CYBMUJFWSA-N -1 3 309.394 3.742 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)Cc2cccc(C#N)c2)c([O-])c1 ZINC000558617766 331927486 /nfs/dbraw/zinc/92/74/86/331927486.db2.gz ZYCMWUDJZLQRRD-UHFFFAOYSA-N -1 3 308.381 3.743 20 30 DHEDHM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c([O-])c1 ZINC000181120774 332175995 /nfs/dbraw/zinc/17/59/95/332175995.db2.gz XLFCSEJYZPBKLA-UHFFFAOYSA-N -1 3 309.369 3.647 20 30 DHEDHM N#Cc1ccc(/C=C/c2cc([O-])ccc2Br)nc1 ZINC000178989885 333023132 /nfs/dbraw/zinc/02/31/32/333023132.db2.gz PHRORCBWJQDRSI-DUXPYHPUSA-N -1 3 301.143 3.592 20 30 DHEDHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1(C#N)CCC1 ZINC000179466734 333025379 /nfs/dbraw/zinc/02/53/79/333025379.db2.gz LDGFMNSXHCERKS-UHFFFAOYSA-N -1 3 322.364 3.703 20 30 DHEDHM CC(C)(C)c1csc([N-]C(=O)c2ccncc2F)c1C#N ZINC000410926551 333609069 /nfs/dbraw/zinc/60/90/69/333609069.db2.gz IQQVICODIRWZJQ-UHFFFAOYSA-N -1 3 303.362 3.704 20 30 DHEDHM Cc1noc(C)c1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000410930098 333611332 /nfs/dbraw/zinc/61/13/32/333611332.db2.gz PRZDGUIZZAVZNQ-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM CN(C)C(=O)[C@H]1CCC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000265138247 333963515 /nfs/dbraw/zinc/96/35/15/333963515.db2.gz MSPXTIZJUSTADH-AIEOMDLASA-N -1 3 324.424 3.611 20 30 DHEDHM CC(C)c1cc(C(=O)N(C)C[C@@H](C)C#N)c([O-])c(C(C)C)c1 ZINC000299244217 334254257 /nfs/dbraw/zinc/25/42/57/334254257.db2.gz KKSJEYKHCTWAET-ZDUSSCGKSA-N -1 3 302.418 3.871 20 30 DHEDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cnccc1C#N ZINC000341491549 334447756 /nfs/dbraw/zinc/44/77/56/334447756.db2.gz ZEXWREZXXDSQPI-UHFFFAOYSA-N -1 3 303.774 3.581 20 30 DHEDHM Cc1sc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C#N)c1C ZINC000344223224 335229941 /nfs/dbraw/zinc/22/99/41/335229941.db2.gz SRGHHUMAORLCAR-UHFFFAOYSA-N -1 3 319.317 3.536 20 30 DHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccccc3F)on2)c1 ZINC000344319928 335240864 /nfs/dbraw/zinc/24/08/64/335240864.db2.gz FMAWQSQAQWEPRL-UHFFFAOYSA-N -1 3 307.284 3.605 20 30 DHEDHM CC(C)(C)CN(CCC#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345659513 335344071 /nfs/dbraw/zinc/34/40/71/335344071.db2.gz YLINHUBWPOVTKN-UHFFFAOYSA-N -1 3 320.408 3.642 20 30 DHEDHM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1csc(=O)[n-]1 ZINC000329970620 336101345 /nfs/dbraw/zinc/10/13/45/336101345.db2.gz XZHQVYIHXJGBAB-ZIAGYGMSSA-N -1 3 316.426 3.955 20 30 DHEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1oc(CC2CC2)nc1C ZINC000330094392 336112925 /nfs/dbraw/zinc/11/29/25/336112925.db2.gz SUGPRQIWOGFCCG-UHFFFAOYSA-N -1 3 301.346 3.746 20 30 DHEDHM N#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCCCC1 ZINC000332455272 336171948 /nfs/dbraw/zinc/17/19/48/336171948.db2.gz NGKMGYRKHNOFJQ-KRWDZBQOSA-N -1 3 308.381 3.748 20 30 DHEDHM N#Cc1c(F)cccc1Sc1n[n-]c(-c2ccccc2F)n1 ZINC000301136524 336291657 /nfs/dbraw/zinc/29/16/57/336291657.db2.gz AFHDMGJPUNQWOL-UHFFFAOYSA-N -1 3 314.320 3.773 20 30 DHEDHM CCCc1ncc(C(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC000358105028 336611901 /nfs/dbraw/zinc/61/19/01/336611901.db2.gz FXLQOWIEGZKBLE-UHFFFAOYSA-N -1 3 305.428 3.898 20 30 DHEDHM N#Cc1ccc(SCC(=O)Nc2ccccc2[O-])c(Cl)c1 ZINC000180713877 337177373 /nfs/dbraw/zinc/17/73/73/337177373.db2.gz ABPZWDJUYKQXIH-UHFFFAOYSA-N -1 3 318.785 3.648 20 30 DHEDHM Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c([O-])c1C ZINC000436557511 338276837 /nfs/dbraw/zinc/27/68/37/338276837.db2.gz WZHFLNUUPZZVOR-OAHLLOKOSA-N -1 3 314.772 3.657 20 30 DHEDHM Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c([O-])c1C ZINC000436683686 338282593 /nfs/dbraw/zinc/28/25/93/338282593.db2.gz ZWEWBRGKUUDTHC-UHFFFAOYSA-N -1 3 324.380 3.944 20 30 DHEDHM CCCCOc1ccc(C(=O)NCC(C)(C)CCC#N)c([O-])c1 ZINC000436735801 338284832 /nfs/dbraw/zinc/28/48/32/338284832.db2.gz DLSVUDFBAQIHGG-UHFFFAOYSA-N -1 3 318.417 3.631 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C#N)cc3C)nc21 ZINC000439550793 338372903 /nfs/dbraw/zinc/37/29/03/338372903.db2.gz QSEUKUYTNRSICM-HNNXBMFYSA-N -1 3 314.348 3.542 20 30 DHEDHM N#C[C@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC12CCCC2 ZINC000450093407 338666769 /nfs/dbraw/zinc/66/67/69/338666769.db2.gz YOKFMVZAJFUJKS-HNNXBMFYSA-N -1 3 324.302 3.824 20 30 DHEDHM Cc1ccc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000454238589 338858547 /nfs/dbraw/zinc/85/85/47/338858547.db2.gz IAWJKXIQWPIDPX-UHFFFAOYSA-N -1 3 308.381 3.780 20 30 DHEDHM Cc1cc(C(=O)Nc2cccc(C(C)(C)C)c2[O-])ncc1C#N ZINC000457718197 338976208 /nfs/dbraw/zinc/97/62/08/338976208.db2.gz CHOJQHQVXCTVNQ-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1nc(CC)cc(=O)[n-]1 ZINC000468272541 339258400 /nfs/dbraw/zinc/25/84/00/339258400.db2.gz WBZYDVVBFABYPD-UHFFFAOYSA-N -1 3 323.849 3.648 20 30 DHEDHM CNC(=O)Oc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000496768622 340012572 /nfs/dbraw/zinc/01/25/72/340012572.db2.gz COKIAYCFMYHXNA-UHFFFAOYSA-N -1 3 304.733 3.514 20 30 DHEDHM Cc1cc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1[O-] ZINC000500159414 340051606 /nfs/dbraw/zinc/05/16/06/340051606.db2.gz UOFOLXLSGIGAGA-MSOLQXFVSA-N -1 3 320.392 3.613 20 30 DHEDHM N#Cc1ccc(CN(Cc2c(F)ccc([O-])c2F)C2CC2)cc1 ZINC000507156301 340209953 /nfs/dbraw/zinc/20/99/53/340209953.db2.gz SDDZPJLQVWYDGT-UHFFFAOYSA-N -1 3 314.335 3.707 20 30 DHEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000540483129 340932998 /nfs/dbraw/zinc/93/29/98/340932998.db2.gz IRWGNPFQIFEQED-NSHDSACASA-N -1 3 321.364 3.729 20 30 DHEDHM Cc1cccc(-c2cncc(C([O-])=C(C#N)c3ccccn3)c2)c1 ZINC000131972090 341114396 /nfs/dbraw/zinc/11/43/96/341114396.db2.gz ZPSSHBXRIZSRNH-SFHVURJKSA-N -1 3 313.360 3.942 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c(C)o1 ZINC000564300339 341154985 /nfs/dbraw/zinc/15/49/85/341154985.db2.gz CPAUEBWEDRMENO-QMMMGPOBSA-N -1 3 315.398 3.602 20 30 DHEDHM C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455360 599353919 /nfs/dbraw/zinc/35/39/19/599353919.db2.gz HUBQRYHFLCXYBF-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455360 599353924 /nfs/dbraw/zinc/35/39/24/599353924.db2.gz HUBQRYHFLCXYBF-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM N#Cc1ccc([C@@H](NCc2csc3ccccc23)C(=O)[O-])cc1 ZINC000739106674 600595274 /nfs/dbraw/zinc/59/52/74/600595274.db2.gz OIOLTCABYRRDCY-QGZVFWFLSA-N -1 3 322.389 3.688 20 30 DHEDHM CC(C)(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736297575 600596643 /nfs/dbraw/zinc/59/66/43/600596643.db2.gz IUCCXWPCXKWWKW-GOSISDBHSA-N -1 3 322.408 3.771 20 30 DHEDHM C[C@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2)C(=O)c2ccccc21 ZINC000824857525 607680771 /nfs/dbraw/zinc/68/07/71/607680771.db2.gz DHZOQHVLNNUGJM-YGRGUWMTSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2)C(=O)c2ccccc21 ZINC000824857525 607680773 /nfs/dbraw/zinc/68/07/73/607680773.db2.gz DHZOQHVLNNUGJM-YGRGUWMTSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2ccc(-c3nnn[n-]3)s2)C(=O)c2ccccc21 ZINC000824858260 607681438 /nfs/dbraw/zinc/68/14/38/607681438.db2.gz IOUBBKLXFPOKBD-SPQRFVMMSA-N -1 3 322.393 3.702 20 30 DHEDHM Cc1ccc(C[C@@H](C)N(C)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833749024 604611924 /nfs/dbraw/zinc/61/19/24/604611924.db2.gz ZGTRIAPEXLTKIH-OAHLLOKOSA-N -1 3 322.408 3.628 20 30 DHEDHM C=CCSCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833378440 605068063 /nfs/dbraw/zinc/06/80/63/605068063.db2.gz NKKOEEVAFAEPED-LBPRGKRZSA-N -1 3 320.241 3.628 20 30 DHEDHM C=CCN(CCc1ccco1)Cc1cc(C(=O)[O-])sc1C ZINC000833374638 605477380 /nfs/dbraw/zinc/47/73/80/605477380.db2.gz VNBVZNUFFZNMAU-UHFFFAOYSA-N -1 3 305.399 3.578 20 30 DHEDHM CCCc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821138503 606303705 /nfs/dbraw/zinc/30/37/05/606303705.db2.gz ATOVLDSZBLDLEH-CMDGGOBGSA-N -1 3 324.409 3.777 20 30 DHEDHM CCCc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821138503 606303706 /nfs/dbraw/zinc/30/37/06/606303706.db2.gz ATOVLDSZBLDLEH-CMDGGOBGSA-N -1 3 324.409 3.777 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826285990 609270050 /nfs/dbraw/zinc/27/00/50/609270050.db2.gz POOXAAZKRVPGNF-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826285990 609270052 /nfs/dbraw/zinc/27/00/52/609270052.db2.gz POOXAAZKRVPGNF-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826296908 609270683 /nfs/dbraw/zinc/27/06/83/609270683.db2.gz OFSLWUOODYNPFD-CMDGGOBGSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826296908 609270685 /nfs/dbraw/zinc/27/06/85/609270685.db2.gz OFSLWUOODYNPFD-CMDGGOBGSA-N -1 3 322.343 3.519 20 30 DHEDHM C=CCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823899205 609451768 /nfs/dbraw/zinc/45/17/68/609451768.db2.gz PRCFMMGRRZARBG-UHFFFAOYSA-N -1 3 300.309 3.554 20 30 DHEDHM C=CCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823899205 609451770 /nfs/dbraw/zinc/45/17/70/609451770.db2.gz PRCFMMGRRZARBG-UHFFFAOYSA-N -1 3 300.309 3.554 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc(C)c1F ZINC000737231286 945015841 /nfs/dbraw/zinc/01/58/41/945015841.db2.gz MQJNWIDWSMCYSO-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc(C)c1F ZINC000737231286 945015850 /nfs/dbraw/zinc/01/58/50/945015850.db2.gz MQJNWIDWSMCYSO-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM CC(C)(C#N)CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824059468 946572649 /nfs/dbraw/zinc/57/26/49/946572649.db2.gz WOFXOWRKEHQYLV-UHFFFAOYSA-N -1 3 307.810 3.552 20 30 DHEDHM CC(C)(C#N)CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824059468 946572665 /nfs/dbraw/zinc/57/26/65/946572665.db2.gz WOFXOWRKEHQYLV-UHFFFAOYSA-N -1 3 307.810 3.552 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2F)c(OC)cc1[O-] ZINC000255131138 1013848421 /nfs/dbraw/zinc/84/84/21/1013848421.db2.gz QZKVPBKQYAWTPZ-XQRVVYSFSA-N -1 3 320.291 3.584 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(SC(F)F)cc2)c1O ZINC000255201571 1014112260 /nfs/dbraw/zinc/11/22/60/1014112260.db2.gz RQLSBIMLEBPBLA-UHFFFAOYSA-N -1 3 311.309 3.869 20 30 DHEDHM C=CCCC[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902326593 980834291 /nfs/dbraw/zinc/83/42/91/980834291.db2.gz HJVXCZFZKFTXOD-QGZVFWFLSA-N -1 3 310.397 3.967 20 30 DHEDHM CCCCCCCCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001595704834 982280856 /nfs/dbraw/zinc/28/08/56/982280856.db2.gz ZTVUYVAZCWQONV-UHFFFAOYSA-N -1 3 324.490 3.929 20 30 DHEDHM N#CC(=C([O-])c1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000113650892 1014881111 /nfs/dbraw/zinc/88/11/11/1014881111.db2.gz XXDIQTZHZAQHFH-LBPRGKRZSA-N -1 3 301.305 3.799 20 30 DHEDHM C#C[C@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588376723 983353151 /nfs/dbraw/zinc/35/31/51/983353151.db2.gz GHAKUKJPQRYSKS-WFASDCNBSA-N -1 3 307.821 3.883 20 30 DHEDHM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596356437 983824040 /nfs/dbraw/zinc/82/40/40/983824040.db2.gz MUYGCFWWLRNVHQ-ZDUSSCGKSA-N -1 3 312.369 3.741 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3nccs3)cc2)c1O ZINC000255343243 1015144064 /nfs/dbraw/zinc/14/40/64/1015144064.db2.gz YVLYMCPUSLMSMD-UHFFFAOYSA-N -1 3 312.350 3.678 20 30 DHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccco1 ZINC000255385371 1015519460 /nfs/dbraw/zinc/51/94/60/1015519460.db2.gz WAMJZWYQWRLFKP-CDNLZTBQSA-N -1 3 318.332 3.674 20 30 DHEDHM Cc1cc(Br)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255388493 1015549250 /nfs/dbraw/zinc/54/92/50/1015549250.db2.gz JUQDTFQMMLLEQI-UHFFFAOYSA-N -1 3 322.158 3.625 20 30 DHEDHM C=CC[C@H]1N(C(=O)c2ccc(OC)cc2[O-])CCCC1(C)C ZINC000443862436 1015775832 /nfs/dbraw/zinc/77/58/32/1015775832.db2.gz UYMQXLIUKHERPN-MRXNPFEDSA-N -1 3 303.402 3.608 20 30 DHEDHM COc1cc(/C=C\C(=O)c2cncc(C)c2)cc(Cl)c1[O-] ZINC000588476145 1015882529 /nfs/dbraw/zinc/88/25/29/1015882529.db2.gz BBXDXIAZEBLCSK-ARJAWSKDSA-N -1 3 303.745 3.654 20 30 DHEDHM C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)c2c([O-])cccc21 ZINC000346848442 1016592619 /nfs/dbraw/zinc/59/26/19/1016592619.db2.gz QMLCNOASNRIYPZ-NSHDSACASA-N -1 3 310.328 3.557 20 30 DHEDHM N#CC(=C([O-])c1cc2c(s1)CCCC2)c1nc2ccccc2[nH]1 ZINC000046706198 1032179769 /nfs/dbraw/zinc/17/97/69/1032179769.db2.gz OXIFVTHMWWYNQV-LBPRGKRZSA-N -1 3 321.405 3.993 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000362133100 1032244707 /nfs/dbraw/zinc/24/47/07/1032244707.db2.gz GFXWIUBLCSPEEZ-ZDUSSCGKSA-N -1 3 304.271 3.899 20 30 DHEDHM Cc1coc([N-]C(=O)c2nc(-c3ccccc3)oc2C)c1C#N ZINC001147313533 1032301587 /nfs/dbraw/zinc/30/15/87/1032301587.db2.gz ZCHQEZFQFRBFOA-UHFFFAOYSA-N -1 3 307.309 3.675 20 30 DHEDHM Cc1coc([N-]C(=O)c2cc(Br)cs2)c1C#N ZINC001147905837 1032352632 /nfs/dbraw/zinc/35/26/32/1032352632.db2.gz NXOOFZRGBWDMBZ-UHFFFAOYSA-N -1 3 311.160 3.536 20 30 DHEDHM Cc1c(C(=O)Nc2ccc([O-])c(C#N)c2)cccc1C(F)(F)F ZINC001148746070 1032436964 /nfs/dbraw/zinc/43/69/64/1032436964.db2.gz WSQODFLLWIURLV-UHFFFAOYSA-N -1 3 320.270 3.843 20 30 DHEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1[O-] ZINC000537642764 1032572835 /nfs/dbraw/zinc/57/28/35/1032572835.db2.gz YWNUXLKDHFAHML-HNNXBMFYSA-N -1 3 314.772 3.603 20 30 DHEDHM CCCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000254943720 1012538092 /nfs/dbraw/zinc/53/80/92/1012538092.db2.gz OFEPSZCUWIEAJS-UHFFFAOYSA-N -1 3 321.760 3.996 20 30 DHEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)c(Br)c1 ZINC000254954808 1012560710 /nfs/dbraw/zinc/56/07/10/1012560710.db2.gz RJTGCNPNHSFCNI-UHFFFAOYSA-N -1 3 322.158 3.625 20 30 DHEDHM CCc1nc(CN[C@H](CC)c2cccc(C#N)c2[O-])cs1 ZINC000925000996 1012631944 /nfs/dbraw/zinc/63/19/44/1012631944.db2.gz XAHIUAYJNLRSQA-CQSZACIVSA-N -1 3 301.415 3.524 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC3CCC3)c(F)c2)c1O ZINC000254999756 1012717243 /nfs/dbraw/zinc/71/72/43/1012717243.db2.gz RXZNTKANYWOSBX-UHFFFAOYSA-N -1 3 317.316 3.624 20 30 DHEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000255542307 1017515634 /nfs/dbraw/zinc/51/56/34/1017515634.db2.gz BJHYRAGMFJEXPP-LAUAKBEESA-N -1 3 305.362 3.581 20 30 DHEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1ccc2ccccc2n1 ZINC000674895031 1018186524 /nfs/dbraw/zinc/18/65/24/1018186524.db2.gz WCEOWYXFFVYKCK-MRXNPFEDSA-N -1 3 313.360 3.997 20 30 DHEDHM N#CC1(CNCc2c([O-])cccc2Br)CCCCC1 ZINC000858192018 1032797827 /nfs/dbraw/zinc/79/78/27/1032797827.db2.gz DZFJDDLLFCWFSJ-UHFFFAOYSA-N -1 3 323.234 3.718 20 30 DHEDHM C=CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000213714935 1019067647 /nfs/dbraw/zinc/06/76/47/1019067647.db2.gz BYJYOVOATOBWFS-CLFYSBASSA-N -1 3 310.349 3.862 20 30 DHEDHM CCc1cccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1[O-] ZINC000094068307 1019609376 /nfs/dbraw/zinc/60/93/76/1019609376.db2.gz GZJXLEIZSCQCIN-UHFFFAOYSA-N -1 3 322.408 3.877 20 30 DHEDHM CCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)C1CCCCC1 ZINC000728174743 1019913087 /nfs/dbraw/zinc/91/30/87/1019913087.db2.gz ZXWVDRGELPLPNI-MLHZQLSASA-N -1 3 304.434 3.756 20 30 DHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2)cc1 ZINC000131525520 1020181256 /nfs/dbraw/zinc/18/12/56/1020181256.db2.gz JBXQMHILDJSGHF-LRDDRELGSA-N -1 3 310.353 3.754 20 30 DHEDHM CCCCCCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000732267880 1020220027 /nfs/dbraw/zinc/22/00/27/1020220027.db2.gz AHHXJAZDVDAIQU-UHFFFAOYSA-N -1 3 315.417 3.816 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2c(F)cccc2Cl)c1[O-] ZINC000751900033 1020858335 /nfs/dbraw/zinc/85/83/35/1020858335.db2.gz VEWJVKZGWLIPBV-SBZQOHANSA-N -1 3 322.767 3.561 20 30 DHEDHM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000089966731 1021198782 /nfs/dbraw/zinc/19/87/82/1021198782.db2.gz AQUAGEUWQJSNAL-TZMCWYRMSA-N -1 3 308.385 3.617 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\CCCn1cnc2ccccc21 ZINC000743340615 1021257237 /nfs/dbraw/zinc/25/72/37/1021257237.db2.gz JJUOWPMRRPVTSW-ODLFYWEKSA-N -1 3 313.788 3.905 20 30 DHEDHM CCCCOc1ccccc1N=Cc1c([O-])c(C)ncc1CO ZINC000917557964 1021295718 /nfs/dbraw/zinc/29/57/18/1021295718.db2.gz JQOPRTCCWFNWJP-UHFFFAOYSA-N -1 3 314.385 3.517 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](CC(C)C)c2cccs2)c1[O-] ZINC000918155506 1021473275 /nfs/dbraw/zinc/47/32/75/1021473275.db2.gz SXKYPDMHYAMIDI-OMPOGXFXSA-N -1 3 318.442 3.856 20 30 DHEDHM COc1cc(/C=C\C(=O)c2cnn(C(C)C)c2)cc(Cl)c1[O-] ZINC000208118624 1021712704 /nfs/dbraw/zinc/71/27/04/1021712704.db2.gz BYJMWIGZSMDFPN-PLNGDYQASA-N -1 3 320.776 3.728 20 30 DHEDHM CCCCOc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000920172137 1022071657 /nfs/dbraw/zinc/07/16/57/1022071657.db2.gz ABCKXIHSMMDMLM-UHFFFAOYSA-N -1 3 314.385 3.517 20 30 DHEDHM O=C(CCc1ccc(Cl)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901375503 1022099444 /nfs/dbraw/zinc/09/94/44/1022099444.db2.gz GMQRZUXILFUDDT-UHFFFAOYSA-N -1 3 307.752 3.830 20 30 DHEDHM N#CC(=C([O-])c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000041557681 1022173622 /nfs/dbraw/zinc/17/36/22/1022173622.db2.gz SUGQYPHCIXJBDT-JTQLQIEISA-N -1 3 301.252 3.514 20 30 DHEDHM CCCn1nccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000853001915 1022193556 /nfs/dbraw/zinc/19/35/56/1022193556.db2.gz CMSASSOYOPYDDR-QSARLWQPSA-N -1 3 300.333 3.521 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(-n2ccnc2)cc1 ZINC000921138442 1022219146 /nfs/dbraw/zinc/21/91/46/1022219146.db2.gz LGSNOPNDOCJPRW-JAIQZWGSSA-N -1 3 311.772 3.850 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(-n2ccnc2)cc1 ZINC000921138443 1022220281 /nfs/dbraw/zinc/22/02/81/1022220281.db2.gz LGSNOPNDOCJPRW-RGVLZGJSSA-N -1 3 311.772 3.850 20 30 DHEDHM C=CCCO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000856033561 1022741353 /nfs/dbraw/zinc/74/13/53/1022741353.db2.gz IMZVUCIMOAOLQR-UHFFFAOYSA-N -1 3 303.402 3.608 20 30 DHEDHM C=CCCO[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000856029514 1022741543 /nfs/dbraw/zinc/74/15/43/1022741543.db2.gz RBKWMAGKAANBBY-UHFFFAOYSA-N -1 3 320.776 3.552 20 30 DHEDHM C=C(C)C[C@@H](C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000767991295 1022858443 /nfs/dbraw/zinc/85/84/43/1022858443.db2.gz SBGYFLDFEWUBLE-GFCCVEGCSA-N -1 3 312.369 3.665 20 30 DHEDHM Cc1nc2c(s1)C(=N[N-]c1nc3cccnc3s1)CCC2 ZINC000857219904 1022969448 /nfs/dbraw/zinc/96/94/48/1022969448.db2.gz UMXDYZFDFSJOND-UHFFFAOYSA-N -1 3 315.427 3.609 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc2nccn21 ZINC000769608260 1023187796 /nfs/dbraw/zinc/18/77/96/1023187796.db2.gz QYGIKCONNLGITP-LZAIMSLLSA-N -1 3 308.312 3.562 20 30 DHEDHM C=CCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000771835623 1023473031 /nfs/dbraw/zinc/47/30/31/1023473031.db2.gz AGWWCTMTPKBTAE-UMUMUWHJSA-N -1 3 310.397 3.714 20 30 DHEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccccn2)nn1C(C)(C)C ZINC000049458774 1023854115 /nfs/dbraw/zinc/85/41/15/1023854115.db2.gz XUOCHNOVOVHZCG-CYBMUJFWSA-N -1 3 310.401 3.647 20 30 DHEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)o1 ZINC000049458580 1023854181 /nfs/dbraw/zinc/85/41/81/1023854181.db2.gz JQTNSHKVLJCHCL-NSHDSACASA-N -1 3 309.350 3.597 20 30 DHEDHM CC(=NNc1ncccc1C)c1ccc(Br)cc1[O-] ZINC000790187657 1024239834 /nfs/dbraw/zinc/23/98/34/1024239834.db2.gz YTHJLTNJPMLNOT-UHFFFAOYSA-N -1 3 320.190 3.694 20 30 DHEDHM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1[O-] ZINC000790823077 1024383903 /nfs/dbraw/zinc/38/39/03/1024383903.db2.gz XZGWCHUFAWPCDM-UHFFFAOYSA-N -1 3 323.245 3.540 20 30 DHEDHM CCc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000453790260 1024592511 /nfs/dbraw/zinc/59/25/11/1024592511.db2.gz CATZSFJZISAXOS-GFCCVEGCSA-N -1 3 319.286 3.548 20 30 DHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102383 1024625055 /nfs/dbraw/zinc/62/50/55/1024625055.db2.gz IITBZLWBXJVFHN-RTRPANQVSA-N -1 3 317.323 3.659 20 30 DHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102380 1024625603 /nfs/dbraw/zinc/62/56/03/1024625603.db2.gz IITBZLWBXJVFHN-OSJSJHBBSA-N -1 3 317.323 3.659 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC000792569611 1024692788 /nfs/dbraw/zinc/69/27/88/1024692788.db2.gz LAAJSPQQFXYBBS-OLTAIVCZSA-N -1 3 324.424 3.733 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H](c3ccccc3)C2)c1[O-] ZINC000792569613 1024693003 /nfs/dbraw/zinc/69/30/03/1024693003.db2.gz LAAJSPQQFXYBBS-QOLIJMJTSA-N -1 3 324.424 3.733 20 30 DHEDHM CC[C@H](C)CON=Cc1ccc(OC)c([O-])c1Br ZINC000793159685 1024907232 /nfs/dbraw/zinc/90/72/32/1024907232.db2.gz QLLGSSSJVLQBIS-VIFPVBQESA-N -1 3 316.195 3.560 20 30 DHEDHM CCN(C)C(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000804599802 1025383902 /nfs/dbraw/zinc/38/39/02/1025383902.db2.gz QXVUSKRWZVIWJA-UHFFFAOYSA-N -1 3 316.788 3.888 20 30 DHEDHM C[C@H](C#N)Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000806564969 1025924320 /nfs/dbraw/zinc/92/43/20/1025924320.db2.gz XJOAVSRKMWIOAM-IBPQLXRUSA-N -1 3 307.353 3.521 20 30 DHEDHM C=CCOc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000645180681 1026069552 /nfs/dbraw/zinc/06/95/52/1026069552.db2.gz HDPXJPLVGGXAHO-UHFFFAOYSA-N -1 3 303.789 3.900 20 30 DHEDHM Cc1csc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C#N ZINC000809002643 1026433321 /nfs/dbraw/zinc/43/33/21/1026433321.db2.gz IPRPSTALGVAQEZ-UHFFFAOYSA-N -1 3 321.745 3.742 20 30 DHEDHM CC(=NNC[C@@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000811658402 1027044841 /nfs/dbraw/zinc/04/48/41/1027044841.db2.gz JRBUDNKPDMBBLP-ZDUSSCGKSA-N -1 3 300.427 3.612 20 30 DHEDHM C#C[C@H]([N-]c1nc(C(F)(F)F)ns1)c1ccc(Cl)cc1 ZINC000811863099 1027110947 /nfs/dbraw/zinc/11/09/47/1027110947.db2.gz QBKXVGJACXSDOX-VIFPVBQESA-N -1 3 317.723 3.997 20 30 DHEDHM C=CCOc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000575233167 1027467509 /nfs/dbraw/zinc/46/75/09/1027467509.db2.gz ZQESRVABKVELCY-CYBMUJFWSA-N -1 3 323.820 3.592 20 30 DHEDHM C#Cc1ccc(C(=O)[N-]c2c(F)cccc2SCC)nc1 ZINC000813305409 1027602057 /nfs/dbraw/zinc/60/20/57/1027602057.db2.gz CTKYNFFBLDFYKS-UHFFFAOYSA-N -1 3 300.358 3.566 20 30 DHEDHM N#Cc1cc(F)cc(NCc2cccc([O-])c2Br)c1 ZINC000600862684 1027876974 /nfs/dbraw/zinc/87/69/74/1027876974.db2.gz ZCPWPHSSSDUQQR-UHFFFAOYSA-N -1 3 321.149 3.778 20 30 DHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cc([N+](=O)[O-])ccc1F ZINC000814192111 1027927811 /nfs/dbraw/zinc/92/78/11/1027927811.db2.gz YEGMCSZPCCVPLK-DJWKRKHSSA-N -1 3 323.226 3.614 20 30 DHEDHM [O-]c1c(C=Nn2cnnc2-c2ccccc2)ccc2ccccc12 ZINC000814779608 1028216562 /nfs/dbraw/zinc/21/65/62/1028216562.db2.gz QGZUADCRRGWOHL-UHFFFAOYSA-N -1 3 314.348 3.686 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000815410004 1028492965 /nfs/dbraw/zinc/49/29/65/1028492965.db2.gz MYPMDIDYYKLZKM-GFCCVEGCSA-N -1 3 308.353 3.560 20 30 DHEDHM CCc1cnccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000778516605 1028673287 /nfs/dbraw/zinc/67/32/87/1028673287.db2.gz FNQSVWWQMGKCLB-VCHYOVAHSA-N -1 3 319.202 3.731 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000410984736 1028992232 /nfs/dbraw/zinc/99/22/32/1028992232.db2.gz LYYPPJUZTRFENA-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ccc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190941846 1029219245 /nfs/dbraw/zinc/21/92/45/1029219245.db2.gz BQLCWJJBCWNIMQ-HNNXBMFYSA-N -1 3 301.349 3.737 20 30 DHEDHM C[C@@H](NCc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1[O-] ZINC000866364770 1030257658 /nfs/dbraw/zinc/25/76/58/1030257658.db2.gz CPMGSQHNMOQHES-SNVBAGLBSA-N -1 3 321.302 3.528 20 30 DHEDHM C#CC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000844047290 1030943347 /nfs/dbraw/zinc/94/33/47/1030943347.db2.gz PGHUPUZOFCTMQK-UHFFFAOYSA-N -1 3 321.376 3.670 20 30 DHEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccc(Br)cc1 ZINC001223976183 1031610302 /nfs/dbraw/zinc/61/03/02/1031610302.db2.gz NSVGLAFGZARCFF-PXAAABLISA-N -1 3 321.174 3.758 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)-c1ccccc1C2)c1ccncn1 ZINC000760334545 1031665907 /nfs/dbraw/zinc/66/59/07/1031665907.db2.gz PLXYYTVPAMFGRS-SFHVURJKSA-N -1 3 311.344 3.538 20 30 DHEDHM C[C@@H](CC(F)(F)F)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845795 1031729658 /nfs/dbraw/zinc/72/96/58/1031729658.db2.gz ZEVOGTJBXDPJNM-AAEUAGOBSA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845795 1031729672 /nfs/dbraw/zinc/72/96/72/1031729672.db2.gz ZEVOGTJBXDPJNM-AAEUAGOBSA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@H](CC(F)(F)F)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845800 1031734728 /nfs/dbraw/zinc/73/47/28/1031734728.db2.gz ZEVOGTJBXDPJNM-YPMHNXCESA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845800 1031734744 /nfs/dbraw/zinc/73/47/44/1031734744.db2.gz ZEVOGTJBXDPJNM-YPMHNXCESA-N -1 3 323.314 3.585 20 30 DHEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1nccc2ccccc21 ZINC000361538380 1031975589 /nfs/dbraw/zinc/97/55/89/1031975589.db2.gz BWVNUEQTSDJBIU-KRWDZBQOSA-N -1 3 313.360 3.997 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000846542646 1031994816 /nfs/dbraw/zinc/99/48/16/1031994816.db2.gz BJLDOAQXPWNRPW-NSHDSACASA-N -1 3 320.776 3.550 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000846549261 1031998334 /nfs/dbraw/zinc/99/83/34/1031998334.db2.gz IVOXOZJFNFKKEE-QWRGUYRKSA-N -1 3 301.308 3.821 20 30 DHEDHM COCC1CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125499 1034003119 /nfs/dbraw/zinc/00/31/19/1034003119.db2.gz XTARYIQLVUUTMA-UHFFFAOYSA-N -1 3 316.430 3.897 20 30 DHEDHM COC1(CN=Nc2nc3ccccc3[n-]c2=S)CCCC1 ZINC000863125506 1034004604 /nfs/dbraw/zinc/00/46/04/1034004604.db2.gz XXMFWVWNDCPHNF-UHFFFAOYSA-N -1 3 302.403 3.649 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2cc(F)c(F)cc2F)c1F ZINC000794512531 1034085218 /nfs/dbraw/zinc/08/52/18/1034085218.db2.gz XNMJSTLNCYTDEL-UHFFFAOYSA-N -1 3 302.202 3.534 20 30 DHEDHM CC(C)c1ccc(C(=O)N(C)CCc2cccc(C#N)c2)c([O-])c1 ZINC000863436615 1034098054 /nfs/dbraw/zinc/09/80/54/1034098054.db2.gz FDQOVEQCWXWPCX-UHFFFAOYSA-N -1 3 322.408 3.702 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccnc3ccccc23)ccc1[O-] ZINC000210531885 1034188848 /nfs/dbraw/zinc/18/88/48/1034188848.db2.gz NPAKUHCVTOMXPB-VURMDHGXSA-N -1 3 305.333 3.845 20 30 DHEDHM N#Cc1cc(Cl)c(C(=O)Nc2ccc(O)cc2[O-])c(Cl)c1 ZINC001176497444 1035280894 /nfs/dbraw/zinc/28/08/94/1035280894.db2.gz JTTMVMYHFACLPU-UHFFFAOYSA-N -1 3 323.135 3.529 20 30 DHEDHM CC[C@@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000904170393 1035381177 /nfs/dbraw/zinc/38/11/77/1035381177.db2.gz BVJILQBGJKBFGO-DOTOQJQBSA-N -1 3 313.397 3.763 20 30 DHEDHM CC(C)(C)OC1CC(CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904173898 1035382060 /nfs/dbraw/zinc/38/20/60/1035382060.db2.gz SLSIAUYXBUSCDV-UHFFFAOYSA-N -1 3 309.381 3.527 20 30 DHEDHM CCC[C@@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191381 1035383299 /nfs/dbraw/zinc/38/32/99/1035383299.db2.gz WDFIVIKPQAAHIQ-TZMCWYRMSA-N -1 3 311.809 3.653 20 30 DHEDHM CO[C@H]1CCC[C@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193812 1035383369 /nfs/dbraw/zinc/38/33/69/1035383369.db2.gz WBBQNIZWSACYBN-JSGCOSHPSA-N -1 3 311.809 3.653 20 30 DHEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(/C=C/c2ccccc2)cc1 ZINC001193146331 1035577862 /nfs/dbraw/zinc/57/78/62/1035577862.db2.gz LDSCEUNIAFZLJG-HSBSLETESA-N -1 3 312.394 3.511 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC001181112443 1035835704 /nfs/dbraw/zinc/83/57/04/1035835704.db2.gz PDPFIMLUMDMAMV-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC001181112443 1035835723 /nfs/dbraw/zinc/83/57/23/1035835723.db2.gz PDPFIMLUMDMAMV-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001181120290 1035841740 /nfs/dbraw/zinc/84/17/40/1035841740.db2.gz HHCXZIVLAUXXPB-CYBMUJFWSA-N -1 3 315.421 3.802 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001181120290 1035841763 /nfs/dbraw/zinc/84/17/63/1035841763.db2.gz HHCXZIVLAUXXPB-CYBMUJFWSA-N -1 3 315.421 3.802 20 30 DHEDHM N#Cc1ccc(C=CNc2ncc(Br)cc2[O-])cc1 ZINC001203298962 1036071830 /nfs/dbraw/zinc/07/18/30/1036071830.db2.gz VCFLLKCVCLAXBH-AATRIKPKSA-N -1 3 316.158 3.504 20 30 DHEDHM CCCCCCCCCOC(=O)Nc1cc([O-])cc(C(N)=O)c1 ZINC001194920152 1036075125 /nfs/dbraw/zinc/07/51/25/1036075125.db2.gz WEAHCBVIULKFTJ-UHFFFAOYSA-N -1 3 322.405 3.790 20 30 DHEDHM C[C@H](NCc1ccc(C#N)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774372194 1036302586 /nfs/dbraw/zinc/30/25/86/1036302586.db2.gz WFYMDEKWSZDTQY-VIFPVBQESA-N -1 3 322.195 3.816 20 30 DHEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000908663612 1036465632 /nfs/dbraw/zinc/46/56/32/1036465632.db2.gz XVJCHTXZDJOZBW-KRWDZBQOSA-N -1 3 323.392 3.685 20 30 DHEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)cc(C)c1OC(C)C ZINC001197228280 1036713772 /nfs/dbraw/zinc/71/37/72/1036713772.db2.gz IGQFOVIDYJQXAU-UHFFFAOYSA-N -1 3 324.380 3.920 20 30 DHEDHM N#Cc1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1[O-] ZINC001197335576 1036757610 /nfs/dbraw/zinc/75/76/10/1036757610.db2.gz PRFGKKUIEOEQAP-UHFFFAOYSA-N -1 3 303.774 3.726 20 30 DHEDHM N#Cc1ccc(NC(=O)[N-]c2cc(-c3cccs3)no2)cc1 ZINC001184716388 1036933770 /nfs/dbraw/zinc/93/37/70/1036933770.db2.gz KZSHVFKCVSMZHB-UHFFFAOYSA-N -1 3 310.338 3.919 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC(F)(F)C1 ZINC000763096157 1037251545 /nfs/dbraw/zinc/25/15/45/1037251545.db2.gz HAVKKQPSCHFEKS-SMUOPJFFSA-N -1 3 304.134 3.761 20 30 DHEDHM CCCCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000029389401 1037720857 /nfs/dbraw/zinc/72/08/57/1037720857.db2.gz XDUPPEWANBYEFW-UHFFFAOYSA-N -1 3 312.295 3.802 20 30 DHEDHM CCCCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000029389401 1037720879 /nfs/dbraw/zinc/72/08/79/1037720879.db2.gz XDUPPEWANBYEFW-UHFFFAOYSA-N -1 3 312.295 3.802 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccccc2F)c1C#N ZINC001201988929 1037978944 /nfs/dbraw/zinc/97/89/44/1037978944.db2.gz DVLFSQFMHYHOBD-UHFFFAOYSA-N -1 3 302.309 3.627 20 30 DHEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000916876882 1038022151 /nfs/dbraw/zinc/02/21/51/1038022151.db2.gz UZBCJQLQUMQXQQ-UHFFFAOYSA-N -1 3 312.350 3.719 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)s2)nc(C)n1 ZINC000916880458 1038022267 /nfs/dbraw/zinc/02/22/67/1038022267.db2.gz SFJJBDCJZJUJGM-KTLBGCOUSA-N -1 3 317.801 3.698 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC001188968632 1038024216 /nfs/dbraw/zinc/02/42/16/1038024216.db2.gz NYGZQZMAMDENGH-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM N#Cc1ccc(C(=O)Nc2cc(C3CCCCC3)ccc2[O-])nc1 ZINC001190592249 1038354273 /nfs/dbraw/zinc/35/42/73/1038354273.db2.gz XYMQCMXMFBIYJZ-UHFFFAOYSA-N -1 3 321.380 3.959 20 30 DHEDHM CCCCCCCCNC(=O)Nc1c([O-])cccc1C(=O)OC ZINC001191069234 1038430255 /nfs/dbraw/zinc/43/02/55/1038430255.db2.gz HGDHQSKNYUFKKB-UHFFFAOYSA-N -1 3 322.405 3.661 20 30 DHEDHM Cc1ccc(F)cc1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001191378773 1038492704 /nfs/dbraw/zinc/49/27/04/1038492704.db2.gz YQDHRAMHZPVDDW-UHFFFAOYSA-N -1 3 316.336 3.935 20 30 DHEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC001192573226 1038685063 /nfs/dbraw/zinc/68/50/63/1038685063.db2.gz RSZXXJQYWZAVKJ-UHFFFAOYSA-N -1 3 317.813 3.646 20 30 DHEDHM CC(C)(C)c1csc([N-]C(=O)c2ncccc2F)c1C#N ZINC000598839482 1038906021 /nfs/dbraw/zinc/90/60/21/1038906021.db2.gz STRTWLBMVPOSCC-UHFFFAOYSA-N -1 3 303.362 3.704 20 30 DHEDHM COc1ccc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)o1 ZINC000594037750 1040015824 /nfs/dbraw/zinc/01/58/24/1040015824.db2.gz DFIHAHVCHHREFC-UHFFFAOYSA-N -1 3 304.371 3.771 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3scnc3C3CC3)nc21 ZINC000534105960 1040708435 /nfs/dbraw/zinc/70/84/35/1040708435.db2.gz QHBBMLSNJFJYKE-LLVKDONJSA-N -1 3 322.393 3.695 20 30 DHEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cocn3)sc21 ZINC000297827714 132036194 /nfs/dbraw/zinc/03/61/94/132036194.db2.gz MMMRQKOAQUTOFK-DTWKUNHWSA-N -1 3 301.371 3.546 20 30 DHEDHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1ccc(C#N)o1 ZINC000410481096 332148755 /nfs/dbraw/zinc/14/87/55/332148755.db2.gz DASJTELSDCTUFH-UHFFFAOYSA-N -1 3 302.355 3.694 20 30 DHEDHM C[C@](C#N)(NC(=O)Cc1ccc([O-])cc1Cl)C1CCCCC1 ZINC000561555006 332463345 /nfs/dbraw/zinc/46/33/45/332463345.db2.gz LOKWMEAXFJMTND-QGZVFWFLSA-N -1 3 320.820 3.567 20 30 DHEDHM CCCN(CC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179456744 333025150 /nfs/dbraw/zinc/02/51/50/333025150.db2.gz VFOAYPHAPOEZDF-UHFFFAOYSA-N -1 3 310.353 3.560 20 30 DHEDHM Cc1noc(C)c1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000179543906 333152499 /nfs/dbraw/zinc/15/24/99/333152499.db2.gz NAVJENWTDUSADA-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cscn1 ZINC000108240414 333174162 /nfs/dbraw/zinc/17/41/62/333174162.db2.gz JWKKPGMKZHCJRJ-JTQLQIEISA-N -1 3 303.412 3.647 20 30 DHEDHM N#CC1(c2ccc(C(=O)N3CCCc4cccc([O-])c43)cc2)CC1 ZINC000182942186 333181791 /nfs/dbraw/zinc/18/17/91/333181791.db2.gz LTYOIUNDEAHXBI-UHFFFAOYSA-N -1 3 318.376 3.540 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2nc3c(s2)CCC3)c1C#N ZINC000564785050 333367810 /nfs/dbraw/zinc/36/78/10/333367810.db2.gz IPGJEGODQVCAAU-UHFFFAOYSA-N -1 3 317.439 3.688 20 30 DHEDHM CC#CCCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000295988178 335139323 /nfs/dbraw/zinc/13/93/23/335139323.db2.gz JGDVJMLIOWJGDK-UHFFFAOYSA-N -1 3 310.191 3.595 20 30 DHEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185996948 335155585 /nfs/dbraw/zinc/15/55/85/335155585.db2.gz DSSGBHAEIDTFBL-UHFFFAOYSA-N -1 3 314.429 3.673 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2cccnc2F)c(C#N)s1 ZINC000288540385 334161075 /nfs/dbraw/zinc/16/10/75/334161075.db2.gz FIEJWIPRJSRRFQ-UHFFFAOYSA-N -1 3 303.362 3.704 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(OC)ccc1[O-] ZINC000112183965 334368507 /nfs/dbraw/zinc/36/85/07/334368507.db2.gz COTIIPQZYFFOBN-UHFFFAOYSA-N -1 3 303.402 3.609 20 30 DHEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCN1C1CC1 ZINC000330218145 336125554 /nfs/dbraw/zinc/12/55/54/336125554.db2.gz JBWOVJWKPPYPDK-GFCCVEGCSA-N -1 3 314.307 3.626 20 30 DHEDHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000330293586 336136388 /nfs/dbraw/zinc/13/63/88/336136388.db2.gz HXPJPHKRJTVWPX-HNNXBMFYSA-N -1 3 306.381 3.916 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc3sccc3c2)nc(C)n1 ZINC000352046660 336191701 /nfs/dbraw/zinc/19/17/01/336191701.db2.gz VFIFJWGZMZVCOA-CQSZACIVSA-N -1 3 307.378 3.798 20 30 DHEDHM CCc1cccnc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361520424 336760738 /nfs/dbraw/zinc/76/07/38/336760738.db2.gz UEQIEKLCZXSPLH-MRXNPFEDSA-N -1 3 301.349 3.682 20 30 DHEDHM CCOc1cc(Cl)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000181410998 337183956 /nfs/dbraw/zinc/18/39/56/337183956.db2.gz RXEZOULVYQKUKR-ZDUSSCGKSA-N -1 3 300.745 3.624 20 30 DHEDHM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000073970290 337551190 /nfs/dbraw/zinc/55/11/90/337551190.db2.gz VGVZIBFQRJOWIZ-LLVKDONJSA-N -1 3 309.350 3.597 20 30 DHEDHM N#CCC1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000515771679 337997513 /nfs/dbraw/zinc/99/75/13/337997513.db2.gz IKFDLMMSAZPJNQ-UHFFFAOYSA-N -1 3 322.408 3.630 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)C)cc3)nc1-2 ZINC000429570824 338084431 /nfs/dbraw/zinc/08/44/31/338084431.db2.gz PTWRYVMOFBXMKI-HNNXBMFYSA-N -1 3 318.380 3.880 20 30 DHEDHM Cc1ccc2c(CN(CCC#N)Cc3ccco3)ccc([O-])c2n1 ZINC000429690089 338087385 /nfs/dbraw/zinc/08/73/85/338087385.db2.gz QOZRUBMJFSDFIE-UHFFFAOYSA-N -1 3 321.380 3.758 20 30 DHEDHM N#Cc1csc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432710233 338163774 /nfs/dbraw/zinc/16/37/74/338163774.db2.gz VSCKQOAAPJZJDM-XNTDXEJSSA-N -1 3 319.389 3.899 20 30 DHEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000433358966 338193780 /nfs/dbraw/zinc/19/37/80/338193780.db2.gz AQVXIIIOLAXNSO-CYBMUJFWSA-N -1 3 314.772 3.757 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)[N-]c3ccc(F)cc3C#N)on2)cc1 ZINC000433986216 338206175 /nfs/dbraw/zinc/20/61/75/338206175.db2.gz REOGRPFHLQTALC-UHFFFAOYSA-N -1 3 321.311 3.913 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)c(C)c2)CC)n1 ZINC000435338754 338237290 /nfs/dbraw/zinc/23/72/90/338237290.db2.gz JFPCOVWWBKUCNR-GDNBJRDFSA-N -1 3 307.397 3.853 20 30 DHEDHM N#Cc1ccnc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000435994620 338255243 /nfs/dbraw/zinc/25/52/43/338255243.db2.gz OMPRVZKDFPLUFX-UHFFFAOYSA-N -1 3 324.727 3.514 20 30 DHEDHM Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c([O-])c1 ZINC000436541151 338276217 /nfs/dbraw/zinc/27/62/17/338276217.db2.gz TYCWXTRMMISBTP-UHFFFAOYSA-N -1 3 322.408 3.871 20 30 DHEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436571386 338277700 /nfs/dbraw/zinc/27/77/00/338277700.db2.gz VOPFGKWOUSTXHZ-UHFFFAOYSA-N -1 3 302.418 3.801 20 30 DHEDHM C[C@@H](C#N)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436599489 338279307 /nfs/dbraw/zinc/27/93/07/338279307.db2.gz BKJNOEDSSMBKKA-JTQLQIEISA-N -1 3 323.377 3.767 20 30 DHEDHM CC(C)(c1nc(-c2ccc([O-])cc2)no1)c1cc(F)cc(C#N)c1 ZINC000436684163 338282562 /nfs/dbraw/zinc/28/25/62/338282562.db2.gz YCUWDPWNGQTFFC-UHFFFAOYSA-N -1 3 323.327 3.779 20 30 DHEDHM N#CCCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436687337 338282842 /nfs/dbraw/zinc/28/28/42/338282842.db2.gz HHRONQPDKIUGJG-UHFFFAOYSA-N -1 3 322.408 3.601 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000436722088 338284175 /nfs/dbraw/zinc/28/41/75/338284175.db2.gz NCDNKTHEMHCEJQ-CYBMUJFWSA-N -1 3 308.381 3.878 20 30 DHEDHM C=CCN(CC=C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436754540 338285659 /nfs/dbraw/zinc/28/56/59/338285659.db2.gz ZIASECIOKOIKDC-UHFFFAOYSA-N -1 3 307.393 3.797 20 30 DHEDHM Cc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000436940226 338294818 /nfs/dbraw/zinc/29/48/18/338294818.db2.gz VEDBWCGZOKKJTG-QGZVFWFLSA-N -1 3 308.381 3.866 20 30 DHEDHM N#CCc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000436947827 338295367 /nfs/dbraw/zinc/29/53/67/338295367.db2.gz SLPBPSJYUDTLRY-UHFFFAOYSA-N -1 3 306.365 3.589 20 30 DHEDHM Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])ncc1C#N ZINC000457674989 338974448 /nfs/dbraw/zinc/97/44/48/338974448.db2.gz WRUUVTHZRIMLBG-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM C=CCC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459389482 339026581 /nfs/dbraw/zinc/02/65/81/339026581.db2.gz QNZFNJKPZCKCIT-KRWDZBQOSA-N -1 3 309.413 3.857 20 30 DHEDHM N#CCc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468554714 339266235 /nfs/dbraw/zinc/26/62/35/339266235.db2.gz OFEDCNTZVYCVNZ-UHFFFAOYSA-N -1 3 312.344 3.559 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(Cl)cc1Cl ZINC000470823188 339328786 /nfs/dbraw/zinc/32/87/86/339328786.db2.gz AJCUPAVWEVYRJY-UHFFFAOYSA-N -1 3 316.213 3.769 20 30 DHEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000473143345 339382671 /nfs/dbraw/zinc/38/26/71/339382671.db2.gz XIENJQPCOOWEBA-RBUKOAKNSA-N -1 3 310.372 3.803 20 30 DHEDHM C=C[C@H](C)ON=C([O-])Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000496769050 340012551 /nfs/dbraw/zinc/01/25/51/340012551.db2.gz DSVJSHVYWBICOJ-LBPRGKRZSA-N -1 3 321.377 3.519 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000496769050 340012552 /nfs/dbraw/zinc/01/25/52/340012552.db2.gz DSVJSHVYWBICOJ-LBPRGKRZSA-N -1 3 321.377 3.519 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(C3CCC3)c2)nc(C)n1 ZINC000545266037 341118175 /nfs/dbraw/zinc/11/81/75/341118175.db2.gz DOSFKBVYTKCUQQ-QGZVFWFLSA-N -1 3 305.381 3.851 20 30 DHEDHM Cc1cc(C)c2c(n1)nc(SCCCC(C)(C)C#N)[n-]c2=O ZINC000135476302 341240566 /nfs/dbraw/zinc/24/05/66/341240566.db2.gz PSPULPMKQOIZES-UHFFFAOYSA-N -1 3 316.430 3.769 20 30 DHEDHM N#Cc1ccc(SCc2ncccc2[O-])cc1C(F)(F)F ZINC000555874350 341491063 /nfs/dbraw/zinc/49/10/63/341491063.db2.gz SZMAQTYJQALMQK-UHFFFAOYSA-N -1 3 310.300 3.970 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000153194258 341529489 /nfs/dbraw/zinc/52/94/89/341529489.db2.gz IRTPRTIFXLKAAZ-UHFFFAOYSA-N -1 3 310.300 3.852 20 30 DHEDHM CCc1nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)co1 ZINC000155883096 341614223 /nfs/dbraw/zinc/61/42/23/341614223.db2.gz GIVULZPTJWBJOS-NSHDSACASA-N -1 3 315.398 3.741 20 30 DHEDHM Cc1oc(C2CC2)nc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000576139933 341829066 /nfs/dbraw/zinc/82/90/66/341829066.db2.gz UKJYPHFBFORAJR-UHFFFAOYSA-N -1 3 313.382 3.535 20 30 DHEDHM N#Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000103191427 526684909 /nfs/dbraw/zinc/68/49/09/526684909.db2.gz RZBBGRLWNXPBMY-UHFFFAOYSA-N -1 3 318.785 3.648 20 30 DHEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736194321 599289276 /nfs/dbraw/zinc/28/92/76/599289276.db2.gz ZVWRROGPRWXMMV-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736194321 599289278 /nfs/dbraw/zinc/28/92/78/599289278.db2.gz ZVWRROGPRWXMMV-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](SCc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736194299 599328252 /nfs/dbraw/zinc/32/82/52/599328252.db2.gz ZLZLMZHYTOMCGN-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736194299 599328255 /nfs/dbraw/zinc/32/82/55/599328255.db2.gz ZLZLMZHYTOMCGN-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](Sc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820556879 599344894 /nfs/dbraw/zinc/34/48/94/599344894.db2.gz VZZBFKHTLFTLEO-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Sc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820556879 599344897 /nfs/dbraw/zinc/34/48/97/599344897.db2.gz VZZBFKHTLFTLEO-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822230489 607458163 /nfs/dbraw/zinc/45/81/63/607458163.db2.gz IFQKPLNREZPART-BQYQJAHWSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822230489 607458165 /nfs/dbraw/zinc/45/81/65/607458165.db2.gz IFQKPLNREZPART-BQYQJAHWSA-N -1 3 322.343 3.519 20 30 DHEDHM CCCN(Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000829497054 601807660 /nfs/dbraw/zinc/80/76/60/601807660.db2.gz VQZOLUAGLHOFHK-UHFFFAOYSA-N -1 3 314.410 3.730 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc(C)c1F ZINC000737231285 945015698 /nfs/dbraw/zinc/01/56/98/945015698.db2.gz MQJNWIDWSMCYSO-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc(C)c1F ZINC000737231285 945015708 /nfs/dbraw/zinc/01/57/08/945015708.db2.gz MQJNWIDWSMCYSO-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000826285460 947821359 /nfs/dbraw/zinc/82/13/59/947821359.db2.gz AIDXAXQLPFWLNP-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000826285460 947821363 /nfs/dbraw/zinc/82/13/63/947821363.db2.gz AIDXAXQLPFWLNP-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM CCCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525059809 948538862 /nfs/dbraw/zinc/53/88/62/948538862.db2.gz MAPCTHMHYPFSEB-UHFFFAOYSA-N -1 3 319.384 3.695 20 30 DHEDHM CCCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525059809 948538866 /nfs/dbraw/zinc/53/88/66/948538866.db2.gz MAPCTHMHYPFSEB-UHFFFAOYSA-N -1 3 319.384 3.695 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cccc3c2OCCCO3)ccc1[O-] ZINC000728232170 1013312168 /nfs/dbraw/zinc/31/21/68/1013312168.db2.gz SNQMSRYXSFBSEU-RMKNXTFCSA-N -1 3 310.349 3.758 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccc(Cl)cc1 ZINC000255115823 1013738213 /nfs/dbraw/zinc/73/82/13/1013738213.db2.gz WWLFNPGVGUJPJV-OADJVDCOSA-N -1 3 310.180 3.852 20 30 DHEDHM N#Cc1ccc(Br)c(Nc2ccc(F)c([O-])c2)c1 ZINC001211219030 1014234166 /nfs/dbraw/zinc/23/41/66/1014234166.db2.gz CNBUTEHEWMIYRZ-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM CCCCCCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001595704506 982275824 /nfs/dbraw/zinc/27/58/24/982275824.db2.gz RCKYZMYMLPZBJD-UHFFFAOYSA-N -1 3 305.418 3.722 20 30 DHEDHM CC(=NNCc1cccc2cccnc21)c1ccc([O-])c(F)c1 ZINC000728426317 1016061088 /nfs/dbraw/zinc/06/10/88/1016061088.db2.gz ZJUUMICQAOIBSV-UHFFFAOYSA-N -1 3 309.344 3.593 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)[nH]1 ZINC000684675784 1016170977 /nfs/dbraw/zinc/17/09/77/1016170977.db2.gz OPINWEOPKNSGIO-LBPRGKRZSA-N -1 3 301.415 3.876 20 30 DHEDHM N#Cc1cc(Nc2c(Cl)cc(CO)cc2Cl)ccc1[O-] ZINC001216364930 1016420056 /nfs/dbraw/zinc/42/00/56/1016420056.db2.gz QSMDZPOFEMLEIE-UHFFFAOYSA-N -1 3 309.152 3.807 20 30 DHEDHM COC1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000840710879 1016572120 /nfs/dbraw/zinc/57/21/20/1016572120.db2.gz MONNNJGKXITCDT-CXUHLZMHSA-N -1 3 312.207 3.531 20 30 DHEDHM COc1cc(Cl)c(C)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255507230 1016706247 /nfs/dbraw/zinc/70/62/47/1016706247.db2.gz NLWCOCPMDNWKBL-UHFFFAOYSA-N -1 3 307.733 3.524 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000255512456 1016930030 /nfs/dbraw/zinc/93/00/30/1016930030.db2.gz BOLVWDYQFZJIBJ-INIZCTEOSA-N -1 3 317.772 3.964 20 30 DHEDHM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846946703 1032153913 /nfs/dbraw/zinc/15/39/13/1032153913.db2.gz VCTHKBDRDVOBER-ZDUSSCGKSA-N -1 3 324.371 3.620 20 30 DHEDHM C[C@@H](C#N)c1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001148617775 1032424827 /nfs/dbraw/zinc/42/48/27/1032424827.db2.gz HTYMBUQOQKQXOU-JTQLQIEISA-N -1 3 300.745 3.925 20 30 DHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000121872997 1017426969 /nfs/dbraw/zinc/42/69/69/1017426969.db2.gz QOLOTDYWXIGRSZ-ZDUSSCGKSA-N -1 3 304.353 3.571 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000446050331 1018043478 /nfs/dbraw/zinc/04/34/78/1018043478.db2.gz FYGVRZBRMSGKQF-UHFFFAOYSA-N -1 3 314.366 3.740 20 30 DHEDHM N#CC1(c2ccccc2)CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831939 1018142628 /nfs/dbraw/zinc/14/26/28/1018142628.db2.gz TZUVMWHPUUUKPJ-UHFFFAOYSA-N -1 3 310.372 3.589 20 30 DHEDHM COc1ccsc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000764434368 1018281654 /nfs/dbraw/zinc/28/16/54/1018281654.db2.gz YQNREMKUNWAWLO-INTFFVIUSA-N -1 3 304.342 3.985 20 30 DHEDHM CCC(=NNc1ccnc2ccccc21)c1ccc([O-])c(F)c1 ZINC000764686817 1018350031 /nfs/dbraw/zinc/35/00/31/1018350031.db2.gz MOEWONQXBPRIMP-UHFFFAOYSA-N -1 3 309.344 3.728 20 30 DHEDHM N#Cc1cc(N)c(Nc2cccc([O-])c2F)cc1C(F)(F)F ZINC001212554192 1018457710 /nfs/dbraw/zinc/45/77/10/1018457710.db2.gz LFKYDKBMRJYRCH-UHFFFAOYSA-N -1 3 311.238 3.748 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc2c(c1)OCCCO2 ZINC000727265062 1019676880 /nfs/dbraw/zinc/67/68/80/1019676880.db2.gz GUOSQRIVKRGSIX-ODLFYWEKSA-N -1 3 317.772 3.826 20 30 DHEDHM CC(=NNCc1cccc2cccnc21)c1ccc([O-])cc1F ZINC000729932349 1019923918 /nfs/dbraw/zinc/92/39/18/1019923918.db2.gz JKSZXGBUPGJTEJ-UHFFFAOYSA-N -1 3 309.344 3.593 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccc(F)c(F)c1 ZINC000730147961 1019952222 /nfs/dbraw/zinc/95/22/22/1019952222.db2.gz XDCGLMNYGQTORN-OCKHKDLRSA-N -1 3 311.715 3.822 20 30 DHEDHM COCCOc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000730465018 1019993785 /nfs/dbraw/zinc/99/37/85/1019993785.db2.gz SXDXZBSUNLZSNW-WEVVVXLNSA-N -1 3 312.365 3.622 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000730586936 1020006849 /nfs/dbraw/zinc/00/68/49/1020006849.db2.gz LPJJYGYPMHWQJC-UXEDPAHQSA-N -1 3 311.356 3.981 20 30 DHEDHM COc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)ccc1O ZINC000730586261 1020007756 /nfs/dbraw/zinc/00/77/56/1020007756.db2.gz CPJMYCYJFVUOKR-MDXIRLPMSA-N -1 3 314.312 3.629 20 30 DHEDHM N#CC1(c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)CC1 ZINC000347736638 1020276478 /nfs/dbraw/zinc/27/64/78/1020276478.db2.gz PRZQOLOGEFKKIS-UHFFFAOYSA-N -1 3 312.756 3.853 20 30 DHEDHM COCCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1F ZINC000255682752 1020280516 /nfs/dbraw/zinc/28/05/16/1020280516.db2.gz LUAJJAZSWRYKPT-UHFFFAOYSA-N -1 3 323.751 3.961 20 30 DHEDHM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1c(F)cccc1F ZINC000735616042 1020752322 /nfs/dbraw/zinc/75/23/22/1020752322.db2.gz VFQRXENPMKIEQW-UHFFFAOYSA-N -1 3 321.714 3.695 20 30 DHEDHM N#CCCCOc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000414064422 1020835616 /nfs/dbraw/zinc/83/56/16/1020835616.db2.gz DTRBVJUWAGIGCQ-TWGQIWQCSA-N -1 3 321.380 3.913 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](CC2CC2)c2ccccc2)c1[O-] ZINC000741843225 1021060686 /nfs/dbraw/zinc/06/06/86/1021060686.db2.gz JYPOJTGOTRCJRP-UTYYKHSJSA-N -1 3 310.397 3.548 20 30 DHEDHM C[C@H]1Cc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116535 1021179325 /nfs/dbraw/zinc/17/93/25/1021179325.db2.gz ZZMUBIWOTHIGOC-IINYFYTJSA-N -1 3 324.405 3.834 20 30 DHEDHM COc1ccc(O[C@H](C)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000743045001 1021209877 /nfs/dbraw/zinc/20/98/77/1021209877.db2.gz WCXVVDJORFXGFN-ZGXHQARYSA-N -1 3 319.788 3.941 20 30 DHEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1nccs1 ZINC000618638831 1021465815 /nfs/dbraw/zinc/46/58/15/1021465815.db2.gz OXUVZICXLXTOBK-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM N#Cc1ccsc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000194590432 1021474955 /nfs/dbraw/zinc/47/49/55/1021474955.db2.gz JKWUNMSXGXFQBS-UHFFFAOYSA-N -1 3 313.407 3.684 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(F)ccc2C)c(OC)cc1[O-] ZINC000182294987 1021591799 /nfs/dbraw/zinc/59/17/99/1021591799.db2.gz LULBBIMVCKWERC-FNORWQNLSA-N -1 3 316.328 3.753 20 30 DHEDHM C=CCC(CC=C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000163074519 1021674094 /nfs/dbraw/zinc/67/40/94/1021674094.db2.gz SUWGZVSLRDZNAA-UHFFFAOYSA-N -1 3 310.191 3.862 20 30 DHEDHM Cc1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)no1 ZINC000066801540 1022135894 /nfs/dbraw/zinc/13/58/94/1022135894.db2.gz XXLNEFSMHWSYAD-NSHDSACASA-N -1 3 301.371 3.630 20 30 DHEDHM N#Cc1ccc(CCO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000853665155 1022312691 /nfs/dbraw/zinc/31/26/91/1022312691.db2.gz FOEVKCAJXGUZAF-UHFFFAOYSA-N -1 3 300.402 3.509 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856032575 1022741045 /nfs/dbraw/zinc/74/10/45/1022741045.db2.gz RBCCYNPIVUCGPB-LLVKDONJSA-N -1 3 301.308 3.823 20 30 DHEDHM CC(=NNc1ccnc(Br)c1)c1ccc([O-])c(F)c1 ZINC000769803152 1023217329 /nfs/dbraw/zinc/21/73/29/1023217329.db2.gz MQPUEVIFPMVUOI-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM C=CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccncc1 ZINC000769859003 1023221900 /nfs/dbraw/zinc/22/19/00/1023221900.db2.gz KAEHBNAKOHWKPO-KRWDZBQOSA-N -1 3 310.397 3.958 20 30 DHEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)o1 ZINC000049458582 1023854238 /nfs/dbraw/zinc/85/42/38/1023854238.db2.gz JQTNSHKVLJCHCL-LLVKDONJSA-N -1 3 309.350 3.597 20 30 DHEDHM CCC(O)(CC)CC/N=C\c1cc(Br)ccc1[O-] ZINC000788286859 1023870774 /nfs/dbraw/zinc/87/07/74/1023870774.db2.gz YDPAAIJZMNAAIV-YBEGLDIGSA-N -1 3 314.223 3.515 20 30 DHEDHM N#Cc1cccc(C2(NCc3c([O-])ccc(Cl)c3F)CC2)c1 ZINC000790982225 1024425161 /nfs/dbraw/zinc/42/51/61/1024425161.db2.gz FIYNLBHXYICHTO-UHFFFAOYSA-N -1 3 316.763 3.835 20 30 DHEDHM N#Cc1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000791403141 1024488303 /nfs/dbraw/zinc/48/83/03/1024488303.db2.gz GDXDVIACQKWPBL-UHFFFAOYSA-N -1 3 323.682 3.552 20 30 DHEDHM N#CC[C@@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228957790 1024820967 /nfs/dbraw/zinc/82/09/67/1024820967.db2.gz WGPJZEUQVNMCCE-CYBMUJFWSA-N -1 3 319.158 3.583 20 30 DHEDHM Cc1c(N=Cc2ccc(O)c([O-])c2O)cccc1-c1ncco1 ZINC000793656932 1025146048 /nfs/dbraw/zinc/14/60/48/1025146048.db2.gz ULQDNWBDKGHFNC-UHFFFAOYSA-N -1 3 310.309 3.517 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(-n3cccc3)c2)n1 ZINC000041518773 1025407479 /nfs/dbraw/zinc/40/74/79/1025407479.db2.gz ZPZROKLARMBJIS-OAHLLOKOSA-N -1 3 307.378 3.732 20 30 DHEDHM COc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555638 1025410121 /nfs/dbraw/zinc/41/01/21/1025410121.db2.gz DBLCNRAYZSKYLU-LBPRGKRZSA-N -1 3 320.270 3.599 20 30 DHEDHM COc1cc(C(=O)/C=C\c2c[nH]c(C(F)(F)F)c2)ccc1[O-] ZINC000806566733 1025926399 /nfs/dbraw/zinc/92/63/99/1025926399.db2.gz AKROJKCJIFYHJT-RQOWECAXSA-N -1 3 311.259 3.644 20 30 DHEDHM C=CC[C@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000629366831 1026157439 /nfs/dbraw/zinc/15/74/39/1026157439.db2.gz ZFBJNMQVNJREDW-NSHDSACASA-N -1 3 324.218 3.545 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1COc2ccccc2C1 ZINC000747713262 1026997080 /nfs/dbraw/zinc/99/70/80/1026997080.db2.gz QVSPKXNHGXFGDC-AINDZBIGSA-N -1 3 301.773 3.716 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc(F)c1C#N ZINC000811688285 1027061348 /nfs/dbraw/zinc/06/13/48/1027061348.db2.gz OEPQGVIUAMDMGZ-FKVCUQLRSA-N -1 3 311.287 3.925 20 30 DHEDHM C#CCCN(Cc1ccc2ccccc2c1[O-])CC(F)(F)F ZINC000816570949 1028948999 /nfs/dbraw/zinc/94/89/99/1028948999.db2.gz MRUJKFBXELVMRS-UHFFFAOYSA-N -1 3 307.315 3.933 20 30 DHEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190926369 1029215930 /nfs/dbraw/zinc/21/59/30/1029215930.db2.gz BVDRCJMJDDAQDS-OAHLLOKOSA-N -1 3 301.349 3.737 20 30 DHEDHM N#CC(=C([O-])c1ccc(Cl)cc1)c1cnc2ccccc2n1 ZINC000190941667 1029218719 /nfs/dbraw/zinc/21/87/19/1029218719.db2.gz YOBLREDYAGPMBP-CYBMUJFWSA-N -1 3 307.740 3.773 20 30 DHEDHM CCCCCc1nnc([N-]C(=O)c2cc(C#N)ccc2F)s1 ZINC000823115492 1030212622 /nfs/dbraw/zinc/21/26/22/1030212622.db2.gz IYJHOSLCXIGTRX-UHFFFAOYSA-N -1 3 318.377 3.534 20 30 DHEDHM CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])CCC2 ZINC000866340485 1030240216 /nfs/dbraw/zinc/24/02/16/1030240216.db2.gz JUBVKAZHWKLFQM-DYVFJYSZSA-N -1 3 324.428 3.769 20 30 DHEDHM COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c(OC)c1 ZINC000794925653 1030299126 /nfs/dbraw/zinc/29/91/26/1030299126.db2.gz BWUSKYQJLPLEMS-ALCCZGGFSA-N -1 3 320.291 3.584 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccnn2-c2ccc(F)cc2)ccc1[O-] ZINC000794934229 1030388213 /nfs/dbraw/zinc/38/82/13/1030388213.db2.gz HDRLPYRZYXVGPN-VQHVLOKHSA-N -1 3 322.339 3.922 20 30 DHEDHM CC[C@@H](NCc1ccn(C2CCCC2)n1)c1cccc(C#N)c1[O-] ZINC000925570895 1030409951 /nfs/dbraw/zinc/40/99/51/1030409951.db2.gz YSQMPSDLNJTUHI-GOSISDBHSA-N -1 3 324.428 3.816 20 30 DHEDHM O=C1c2cccc(O)c2CC/C1=C\c1c(F)ccc([O-])c1F ZINC000794942854 1030420049 /nfs/dbraw/zinc/42/00/49/1030420049.db2.gz QXRJLOKNUCBUPM-CMDGGOBGSA-N -1 3 302.276 3.589 20 30 DHEDHM COc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc([O-])c1F)C2 ZINC000794941279 1030423345 /nfs/dbraw/zinc/42/33/45/1030423345.db2.gz MYIXUOWPRZPFDA-YFHOEESVSA-N -1 3 302.276 3.501 20 30 DHEDHM Cc1cc([O-])c(CN(CCC#N)Cc2ccco2)cc1Cl ZINC000824502743 1030577491 /nfs/dbraw/zinc/57/74/91/1030577491.db2.gz KRUITMYCNVWLLO-UHFFFAOYSA-N -1 3 304.777 3.863 20 30 DHEDHM C=CCC[C@H](NCc1ccc2ccccc2c1[O-])C(=O)OCC ZINC000825117463 1030726587 /nfs/dbraw/zinc/72/65/87/1030726587.db2.gz DUIFMZDETWJHDX-KRWDZBQOSA-N -1 3 313.397 3.533 20 30 DHEDHM CC(C)(C)c1cc(C([O-])=C(C#N)c2ccccn2)cc(Cl)n1 ZINC000870136540 1030928885 /nfs/dbraw/zinc/92/88/85/1030928885.db2.gz OUIYSIKAXAPVKC-LBPRGKRZSA-N -1 3 313.788 3.918 20 30 DHEDHM Cc1c(C(=O)/C=C\c2ccc([O-])cc2F)cnn1C(C)(C)C ZINC000844551929 1031208437 /nfs/dbraw/zinc/20/84/37/1031208437.db2.gz VQGFYDIJJVJZBY-VURMDHGXSA-N -1 3 302.349 3.687 20 30 DHEDHM N#CC(=C([O-])c1ccc(SC(F)(F)F)cc1)c1ccncn1 ZINC000760350510 1031679260 /nfs/dbraw/zinc/67/92/60/1031679260.db2.gz ALAMUBOTTYAUSO-LLVKDONJSA-N -1 3 323.299 3.579 20 30 DHEDHM C[C@H](CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853963 1033513588 /nfs/dbraw/zinc/51/35/88/1033513588.db2.gz PQZIDPHBDAKWHD-YPMHNXCESA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@H](CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853963 1033513603 /nfs/dbraw/zinc/51/36/03/1033513603.db2.gz PQZIDPHBDAKWHD-YPMHNXCESA-N -1 3 323.314 3.585 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NC[C@H]1CCCSC1 ZINC000863125090 1034001604 /nfs/dbraw/zinc/00/16/04/1034001604.db2.gz MVISDOPOIDUYBO-SNVBAGLBSA-N -1 3 304.444 3.833 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2cnc(C3CC3)o2)c1C#N ZINC000888775190 1034033191 /nfs/dbraw/zinc/03/31/91/1034033191.db2.gz OMLJDLCWANBPHE-UHFFFAOYSA-N -1 3 301.371 3.608 20 30 DHEDHM C=C(Cl)C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000864518258 1034372559 /nfs/dbraw/zinc/37/25/59/1034372559.db2.gz FIQJFZGLINSQHM-NSHDSACASA-N -1 3 308.592 3.679 20 30 DHEDHM C=CCC[C@@H](O)CNc1cc(Br)cc(Cl)c1[O-] ZINC001252611198 1034487460 /nfs/dbraw/zinc/48/74/60/1034487460.db2.gz XGNPNSKRTCYZOS-SECBINFHSA-N -1 3 320.614 3.547 20 30 DHEDHM N#Cc1ccc(Br)c(Nc2ccc([O-])c(F)c2)c1 ZINC001174738852 1034587608 /nfs/dbraw/zinc/58/76/08/1034587608.db2.gz CLCPFPRRFIMFLC-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1c2ccccc2sc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428697 1034977597 /nfs/dbraw/zinc/97/75/97/1034977597.db2.gz OKHKZLQJMNUYLH-UHFFFAOYSA-N -1 3 318.365 3.697 20 30 DHEDHM N#Cc1ccc2ccccc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428866 1034978375 /nfs/dbraw/zinc/97/83/75/1034978375.db2.gz OYMUUUQVCAQUDG-UHFFFAOYSA-N -1 3 312.336 3.635 20 30 DHEDHM CC[C@@](C)(C#N)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181023 1035378507 /nfs/dbraw/zinc/37/85/07/1035378507.db2.gz QTIBOZXTANPJPC-ZDUSSCGKSA-N -1 3 301.173 3.651 20 30 DHEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CCC1=O ZINC000904170295 1035380965 /nfs/dbraw/zinc/38/09/65/1035380965.db2.gz BAKCVXWAKCICKO-ZFWWWQNUSA-N -1 3 311.381 3.563 20 30 DHEDHM Cc1nc(CCCC(=O)N([O-])Cc2ccccc2Cl)cs1 ZINC000904188297 1035382487 /nfs/dbraw/zinc/38/24/87/1035382487.db2.gz AFPXXNBFXICHMQ-UHFFFAOYSA-N -1 3 324.833 3.846 20 30 DHEDHM CCC[C@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191380 1035383896 /nfs/dbraw/zinc/38/38/96/1035383896.db2.gz WDFIVIKPQAAHIQ-OCCSQVGLSA-N -1 3 311.809 3.653 20 30 DHEDHM O=C(Cc1csc(C2CC2)n1)N([O-])Cc1ccccc1Cl ZINC000904192255 1035384040 /nfs/dbraw/zinc/38/40/40/1035384040.db2.gz FWNLZEXHHDFAPZ-UHFFFAOYSA-N -1 3 322.817 3.634 20 30 DHEDHM N#Cc1cc(NC(=O)c2cncc(-c3ccsc3)c2)ccc1[O-] ZINC001193992371 1035808388 /nfs/dbraw/zinc/80/83/88/1035808388.db2.gz CGNWJXSRVVPOQT-UHFFFAOYSA-N -1 3 321.361 3.640 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001181112116 1035833909 /nfs/dbraw/zinc/83/39/09/1035833909.db2.gz MLOMJAUWPQWLKX-SECBINFHSA-N -1 3 306.332 3.759 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001181112116 1035833929 /nfs/dbraw/zinc/83/39/29/1035833929.db2.gz MLOMJAUWPQWLKX-SECBINFHSA-N -1 3 306.332 3.759 20 30 DHEDHM Cc1cc(C#N)c([N-]C(=O)c2ccc(C(F)(F)F)o2)s1 ZINC001194405225 1035922420 /nfs/dbraw/zinc/92/24/20/1035922420.db2.gz ODQISKLAEKOGFF-UHFFFAOYSA-N -1 3 300.261 3.792 20 30 DHEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC001194591453 1035968129 /nfs/dbraw/zinc/96/81/29/1035968129.db2.gz MPUNXMMNWHQBIL-UHFFFAOYSA-N -1 3 319.879 3.735 20 30 DHEDHM N#Cc1cc(NC(=O)c2cnccc2-c2ccccc2)ccc1[O-] ZINC001196484627 1036545531 /nfs/dbraw/zinc/54/55/31/1036545531.db2.gz YCTKLNMNBGCDNQ-UHFFFAOYSA-N -1 3 315.332 3.578 20 30 DHEDHM Cc1cc(OC(C)C)ccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001196771735 1036618021 /nfs/dbraw/zinc/61/80/21/1036618021.db2.gz XRKOTXBPVBMNTC-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM CCCCCCN([O-])C(=O)CCc1cn(C)c2ccccc12 ZINC001184305364 1036792495 /nfs/dbraw/zinc/79/24/95/1036792495.db2.gz HWUHTKCMOZCSAV-UHFFFAOYSA-N -1 3 302.418 3.909 20 30 DHEDHM O=C(Cc1cccc(Cl)c1)N([O-])Cc1ccccc1Cl ZINC001184283085 1036803684 /nfs/dbraw/zinc/80/36/84/1036803684.db2.gz CEQLRKDMESCYHO-UHFFFAOYSA-N -1 3 310.180 3.954 20 30 DHEDHM O=C(c1nc(Cl)cs1)N([O-])CCCCc1ccccc1 ZINC001184293035 1036806026 /nfs/dbraw/zinc/80/60/26/1036806026.db2.gz CAQPBKUJMRNOKV-UHFFFAOYSA-N -1 3 310.806 3.651 20 30 DHEDHM CC(=O)Nc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000044009664 1036903309 /nfs/dbraw/zinc/90/33/09/1036903309.db2.gz LLZXBFNZVAKEHN-VCHYOVAHSA-N -1 3 302.761 3.623 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccc(F)c(F)c2)c1C#N ZINC001185059959 1037004884 /nfs/dbraw/zinc/00/48/84/1037004884.db2.gz IUQHFHQVVKJBLH-UHFFFAOYSA-N -1 3 320.299 3.766 20 30 DHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547761 1037232119 /nfs/dbraw/zinc/23/21/19/1037232119.db2.gz YVIZDLMNTLDLEJ-UHFFFAOYSA-N -1 3 314.410 3.597 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCC(F)(F)C1 ZINC000763096150 1037251799 /nfs/dbraw/zinc/25/17/99/1037251799.db2.gz HAVKKQPSCHFEKS-NPVNMOQSSA-N -1 3 304.134 3.761 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccccc2Cl)c(OC)cc1[O-] ZINC000763105035 1037257816 /nfs/dbraw/zinc/25/78/16/1037257816.db2.gz HZYCUZQMSATIPO-BQYQJAHWSA-N -1 3 318.756 3.959 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC001187699698 1037702474 /nfs/dbraw/zinc/70/24/74/1037702474.db2.gz HDEJKVSIVJMDEO-UHFFFAOYSA-N -1 3 305.696 3.700 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cccc(Cl)c2Cl)o1 ZINC001189201745 1038086420 /nfs/dbraw/zinc/08/64/20/1038086420.db2.gz SUBQKAFFPWQNDU-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM Cc1ccc(Cl)c(NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001191707363 1038532285 /nfs/dbraw/zinc/53/22/85/1038532285.db2.gz KDGVZYRJXVBXJA-UHFFFAOYSA-N -1 3 301.733 3.870 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000599208956 1039090205 /nfs/dbraw/zinc/09/02/05/1039090205.db2.gz WHJRDSJGUAVULD-UHFFFAOYSA-N -1 3 308.381 3.623 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000417604585 335004158 /nfs/dbraw/zinc/00/41/58/335004158.db2.gz CDBSUSHPLRZBLG-LBPRGKRZSA-N -1 3 321.726 3.868 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000417604584 335004179 /nfs/dbraw/zinc/00/41/79/335004179.db2.gz CDBSUSHPLRZBLG-GFCCVEGCSA-N -1 3 321.726 3.868 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000417631670 335020054 /nfs/dbraw/zinc/02/00/54/335020054.db2.gz VZRXWXWRNUOELU-CQSZACIVSA-N -1 3 317.360 3.903 20 30 DHEDHM CC(C)(C)c1nsc([N-]C(=O)c2cc(C#N)ccc2Cl)n1 ZINC000285411629 131165635 /nfs/dbraw/zinc/16/56/35/131165635.db2.gz UVRFDABEVZXZAK-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccc(Cl)cc2F)c(F)c1 ZINC000133223366 332138501 /nfs/dbraw/zinc/13/85/01/332138501.db2.gz WIDABSVEZNBLRA-UHFFFAOYSA-N -1 3 310.662 3.881 20 30 DHEDHM CC(=O)N(Cc1ccc(/N=C/c2ccccc2[O-])cc1)C(C)C ZINC000116608462 332341206 /nfs/dbraw/zinc/34/12/06/332341206.db2.gz KEMAMPPLWCHPIH-UDWIEESQSA-N -1 3 310.397 3.900 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)o1 ZINC000531127689 332477346 /nfs/dbraw/zinc/47/73/46/332477346.db2.gz DPLKZIIWBZNJRZ-QMMMGPOBSA-N -1 3 315.398 3.602 20 30 DHEDHM CCc1cccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c1[O-] ZINC000580176722 332984857 /nfs/dbraw/zinc/98/48/57/332984857.db2.gz ZJQRPNKCMLZXTR-KRWDZBQOSA-N -1 3 308.381 3.729 20 30 DHEDHM N#Cc1c([N-]C(=O)c2cc(F)c(F)cc2F)sc2c1CCC2 ZINC000178451857 333012254 /nfs/dbraw/zinc/01/22/54/333012254.db2.gz WQYQWCBFPOVSNJ-UHFFFAOYSA-N -1 3 322.311 3.778 20 30 DHEDHM COc1cc(Cl)cc(CN(CCC#N)Cc2ccco2)c1[O-] ZINC000184672682 333200403 /nfs/dbraw/zinc/20/04/03/333200403.db2.gz JMEUCCLVCOJFAQ-UHFFFAOYSA-N -1 3 320.776 3.563 20 30 DHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCO3)n1 ZINC000531331249 333344235 /nfs/dbraw/zinc/34/42/35/333344235.db2.gz LCIWDWGIPZLAEN-CYBMUJFWSA-N -1 3 312.394 3.691 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000410978393 333615666 /nfs/dbraw/zinc/61/56/66/333615666.db2.gz LEJGUZGYJMEPDK-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM CN(C)C(=O)[C@H]1CCC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000265138249 333963546 /nfs/dbraw/zinc/96/35/46/333963546.db2.gz MSPXTIZJUSTADH-PYVXVDTPSA-N -1 3 324.424 3.611 20 30 DHEDHM N#CC1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC000270410894 334012842 /nfs/dbraw/zinc/01/28/42/334012842.db2.gz ZXRSWZFMDZSKAD-UHFFFAOYSA-N -1 3 306.365 3.615 20 30 DHEDHM CC(F)(F)CC(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000277481018 334088524 /nfs/dbraw/zinc/08/85/24/334088524.db2.gz NQVDONSNMRNJLT-SNVBAGLBSA-N -1 3 317.204 3.730 20 30 DHEDHM Cc1sc([N-]C(=O)c2cc(-c3cccnc3)on2)c(C#N)c1C ZINC000341061707 334406043 /nfs/dbraw/zinc/40/60/43/334406043.db2.gz JOKOFHQSOBWXHO-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM Cc1csc([N-]C(=O)c2ncccc2C(F)(F)F)c1C#N ZINC000344929797 335285872 /nfs/dbraw/zinc/28/58/72/335285872.db2.gz OWEJVPUTSGCWQU-UHFFFAOYSA-N -1 3 311.288 3.594 20 30 DHEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1nc(C(C)(C)C)cs1 ZINC000329921267 336095596 /nfs/dbraw/zinc/09/55/96/336095596.db2.gz FMUQFRDLIVWVJP-SSDOTTSWSA-N -1 3 311.432 3.669 20 30 DHEDHM Cc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1[O-] ZINC000352160150 336198209 /nfs/dbraw/zinc/19/82/09/336198209.db2.gz HJOXIGGZQHWWSB-QGZVFWFLSA-N -1 3 308.381 3.866 20 30 DHEDHM COc1cccc(-c2noc([N-][C@@H](C)c3ccc(C#N)cc3)n2)c1 ZINC000301353236 336302102 /nfs/dbraw/zinc/30/21/02/336302102.db2.gz KZKIPTWWCFBIDA-LBPRGKRZSA-N -1 3 320.352 3.790 20 30 DHEDHM COc1cccc(-c2noc([N-][C@H](C)c3cccc(C#N)c3)n2)c1 ZINC000301425086 336305813 /nfs/dbraw/zinc/30/58/13/336305813.db2.gz GKZBBZHLXJHIIL-GFCCVEGCSA-N -1 3 320.352 3.790 20 30 DHEDHM N#Cc1cccc(C#N)c1Sc1n[n-]c(-c2ccccc2F)n1 ZINC000302828995 336371071 /nfs/dbraw/zinc/37/10/71/336371071.db2.gz JKFLBIPKNQIKPU-UHFFFAOYSA-N -1 3 321.340 3.505 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(CC(C)C)nc2C)s1 ZINC000188656180 337274856 /nfs/dbraw/zinc/27/48/56/337274856.db2.gz WTTNXQYVHJWBFT-UHFFFAOYSA-N -1 3 317.414 3.929 20 30 DHEDHM C=CCC1(C(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000189558515 337280048 /nfs/dbraw/zinc/28/00/48/337280048.db2.gz STBPUSLUWKRPMC-UHFFFAOYSA-N -1 3 324.218 3.517 20 30 DHEDHM CCOc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190920136 337291453 /nfs/dbraw/zinc/29/14/53/337291453.db2.gz DRXYTCYTTGBNRO-OAHLLOKOSA-N -1 3 317.348 3.519 20 30 DHEDHM N#CC(=C([O-])c1cccc2ncccc21)c1cnc2ccccc2n1 ZINC000190899537 337292181 /nfs/dbraw/zinc/29/21/81/337292181.db2.gz IAKMLFCBMIKISW-OAHLLOKOSA-N -1 3 324.343 3.668 20 30 DHEDHM CCc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1[O-] ZINC000537640226 337954692 /nfs/dbraw/zinc/95/46/92/337954692.db2.gz LGJFCMUCPQZRRY-UHFFFAOYSA-N -1 3 324.380 3.889 20 30 DHEDHM N#Cc1ccccc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000515208921 337982783 /nfs/dbraw/zinc/98/27/83/337982783.db2.gz XMNLHWKNOUWCCI-UHFFFAOYSA-N -1 3 307.284 3.605 20 30 DHEDHM Cc1sc([N-]C(=O)c2noc3c2C[C@@H](C)CC3)c(C#N)c1C ZINC000433576769 338197129 /nfs/dbraw/zinc/19/71/29/338197129.db2.gz VJYXMDKFAFPZLZ-QMMMGPOBSA-N -1 3 315.398 3.602 20 30 DHEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000433972948 338205926 /nfs/dbraw/zinc/20/59/26/338205926.db2.gz VAMRUHJSJJJMCJ-UHFFFAOYSA-N -1 3 307.284 3.605 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c([O-])c1 ZINC000436759522 338286061 /nfs/dbraw/zinc/28/60/61/338286061.db2.gz ZIPYFTLNVBUWOO-INIZCTEOSA-N -1 3 312.344 3.649 20 30 DHEDHM C=CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CC1 ZINC000436762268 338286156 /nfs/dbraw/zinc/28/61/56/338286156.db2.gz BNHILLMADKMHGP-UHFFFAOYSA-N -1 3 323.392 3.762 20 30 DHEDHM CCCNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436937990 338294618 /nfs/dbraw/zinc/29/46/18/338294618.db2.gz RVLSCVDJQNBALX-UHFFFAOYSA-N -1 3 309.369 3.647 20 30 DHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146226 340780724 /nfs/dbraw/zinc/78/07/24/340780724.db2.gz BGRBXFVBMOCZIG-LLVKDONJSA-N -1 3 300.811 3.507 20 30 DHEDHM CCc1ccc([C@H](C#N)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000552167751 341375312 /nfs/dbraw/zinc/37/53/12/341375312.db2.gz HVYRNHAOKANQTN-INIZCTEOSA-N -1 3 314.772 3.603 20 30 DHEDHM C[C@H](O[N-]C(=O)CCCc1ccccc1)c1cccc(C#N)c1 ZINC000190092224 525921398 /nfs/dbraw/zinc/92/13/98/525921398.db2.gz OCQNYIATCSTDDV-HNNXBMFYSA-N -1 3 308.381 3.690 20 30 DHEDHM CCOc1ccc(F)c([N-]C(=O)c2cc(C#N)cs2)c1F ZINC000340431615 535733608 /nfs/dbraw/zinc/73/36/08/535733608.db2.gz UNSRXLGAFDNSGD-UHFFFAOYSA-N -1 3 308.309 3.549 20 30 DHEDHM N#C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000737677000 599172215 /nfs/dbraw/zinc/17/22/15/599172215.db2.gz YLZQLJVTGDMZMJ-CQSZACIVSA-N -1 3 317.393 3.570 20 30 DHEDHM N#C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000737677000 599172216 /nfs/dbraw/zinc/17/22/16/599172216.db2.gz YLZQLJVTGDMZMJ-CQSZACIVSA-N -1 3 317.393 3.570 20 30 DHEDHM C[C@@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736139871 598793080 /nfs/dbraw/zinc/79/30/80/598793080.db2.gz RKUVERNRUIMUIZ-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736139871 598793082 /nfs/dbraw/zinc/79/30/82/598793082.db2.gz RKUVERNRUIMUIZ-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](SCc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191500 599325891 /nfs/dbraw/zinc/32/58/91/599325891.db2.gz JKXQUDKMHQCURF-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](SCc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191500 599325892 /nfs/dbraw/zinc/32/58/92/599325892.db2.gz JKXQUDKMHQCURF-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM Cc1ccccc1C1CC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822350433 599335769 /nfs/dbraw/zinc/33/57/69/599335769.db2.gz CWBIDKWFBBOGNC-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM Cc1ccccc1C1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822350433 599335771 /nfs/dbraw/zinc/33/57/71/599335771.db2.gz CWBIDKWFBBOGNC-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455359 599354244 /nfs/dbraw/zinc/35/42/44/599354244.db2.gz HUBQRYHFLCXYBF-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455359 599354247 /nfs/dbraw/zinc/35/42/47/599354247.db2.gz HUBQRYHFLCXYBF-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM N#Cc1ccc(CN(Cc2ccc(F)cc2C(=O)[O-])C2CC2)cc1 ZINC000739118003 600091252 /nfs/dbraw/zinc/09/12/52/600091252.db2.gz NZOBWVLCRWYBKH-UHFFFAOYSA-N -1 3 324.355 3.560 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822284738 607460192 /nfs/dbraw/zinc/46/01/92/607460192.db2.gz YGRHPBWYMWCYPX-CMDGGOBGSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822284738 607460193 /nfs/dbraw/zinc/46/01/93/607460193.db2.gz YGRHPBWYMWCYPX-CMDGGOBGSA-N -1 3 322.343 3.519 20 30 DHEDHM CC(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820187886 606388880 /nfs/dbraw/zinc/38/88/80/606388880.db2.gz XQYKJHYJWFDSGC-VQHVLOKHSA-N -1 3 324.409 3.948 20 30 DHEDHM CC(C)(C#N)CCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000819892190 606986396 /nfs/dbraw/zinc/98/63/96/606986396.db2.gz YLUVIJUKPTVZFH-UHFFFAOYSA-N -1 3 319.409 3.569 20 30 DHEDHM CC(C)(C#N)CCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000819892190 606986398 /nfs/dbraw/zinc/98/63/98/606986398.db2.gz YLUVIJUKPTVZFH-UHFFFAOYSA-N -1 3 319.409 3.569 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826297098 947858542 /nfs/dbraw/zinc/85/85/42/947858542.db2.gz VGACKYFZEMQION-CMDGGOBGSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826297098 947858546 /nfs/dbraw/zinc/85/85/46/947858546.db2.gz VGACKYFZEMQION-CMDGGOBGSA-N -1 3 322.343 3.519 20 30 DHEDHM COc1cc(/C=C\C(=O)c2ccc(O)c(C)c2)cc(Cl)c1[O-] ZINC000728232533 1013309174 /nfs/dbraw/zinc/30/91/74/1013309174.db2.gz WFHOGBOKSZAQAD-HYXAFXHYSA-N -1 3 318.756 3.964 20 30 DHEDHM C#CCCCCCCN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588441270 964049219 /nfs/dbraw/zinc/04/92/19/964049219.db2.gz CJSFFCUHKAWWKW-AWEZNQCLSA-N -1 3 320.458 3.870 20 30 DHEDHM C=CC[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000188438508 1013540324 /nfs/dbraw/zinc/54/03/24/1013540324.db2.gz FBHSUVIFTCNLRT-CQSZACIVSA-N -1 3 322.368 3.672 20 30 DHEDHM COc1cccc(Nc2ccc([O-])c(Br)c2)c1C#N ZINC001210123325 1013554960 /nfs/dbraw/zinc/55/49/60/1013554960.db2.gz IFBJKSZMRFTWSR-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM C=CC[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000188438484 1013743336 /nfs/dbraw/zinc/74/33/36/1013743336.db2.gz FBHSUVIFTCNLRT-AWEZNQCLSA-N -1 3 322.368 3.672 20 30 DHEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2)cn1)c1ccccn1 ZINC000580151399 1014045166 /nfs/dbraw/zinc/04/51/66/1014045166.db2.gz BADZCOYDVFYEAR-INIZCTEOSA-N -1 3 315.332 3.759 20 30 DHEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nc2ccccc2[nH]1 ZINC000255282083 1014644559 /nfs/dbraw/zinc/64/45/59/1014644559.db2.gz HDLWLJWRRHGMPB-FNOHHLHBSA-N -1 3 323.377 3.779 20 30 DHEDHM C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588744535 984043100 /nfs/dbraw/zinc/04/31/00/984043100.db2.gz OGPXRMZMTNTILM-GXTWGEPZSA-N -1 3 316.426 3.679 20 30 DHEDHM C=CCOc1ccc(CN[C@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001588873559 984444817 /nfs/dbraw/zinc/44/48/17/984444817.db2.gz CQFNOOSRTUNPPT-GFCCVEGCSA-N -1 3 317.410 3.862 20 30 DHEDHM CC(=O)N1CCc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000255395618 1015604038 /nfs/dbraw/zinc/60/40/38/1015604038.db2.gz ROQOBKKJRJNJTR-UHFFFAOYSA-N -1 3 314.772 3.705 20 30 DHEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000728426113 1016040651 /nfs/dbraw/zinc/04/06/51/1016040651.db2.gz VEJXVCHPDCRCNL-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc([O-])c(F)c1 ZINC000728427532 1016076410 /nfs/dbraw/zinc/07/64/10/1016076410.db2.gz QIYPFRVVXIHGMD-UHFFFAOYSA-N -1 3 317.389 3.550 20 30 DHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccc(Br)nc1 ZINC001227350555 1016590070 /nfs/dbraw/zinc/59/00/70/1016590070.db2.gz OEQBMFPTGGLDPQ-SECBINFHSA-N -1 3 319.158 3.561 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(C4CC4)s3)nc21 ZINC000522830801 1016804857 /nfs/dbraw/zinc/80/48/57/1016804857.db2.gz YMKFEKKFLFLTCJ-NSHDSACASA-N -1 3 322.393 3.695 20 30 DHEDHM CCCc1occc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000342690905 1017017160 /nfs/dbraw/zinc/01/71/60/1017017160.db2.gz ZQYALFHEYWBESU-ZDUSSCGKSA-N -1 3 307.353 3.907 20 30 DHEDHM Cc1ccc(C(=O)N2CCC(C#Cc3ccccc3)CC2)c([O-])c1 ZINC001148504149 1032409823 /nfs/dbraw/zinc/40/98/23/1032409823.db2.gz JNWFNCRHJJBRLX-UHFFFAOYSA-N -1 3 319.404 3.605 20 30 DHEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)c(Br)c1 ZINC001206799938 1012686368 /nfs/dbraw/zinc/68/63/68/1012686368.db2.gz QANBKTKGANHINM-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#C[C@H](NC(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC000436601210 1012756372 /nfs/dbraw/zinc/75/63/72/1012756372.db2.gz CEEJCFXSLBPSNN-LBPRGKRZSA-N -1 3 321.163 3.694 20 30 DHEDHM CC(C)COc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255566339 1018007258 /nfs/dbraw/zinc/00/72/58/1018007258.db2.gz KFPLNKHZVKZPKX-UHFFFAOYSA-N -1 3 301.342 3.589 20 30 DHEDHM C[C@H](C(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F ZINC000447707707 1018459947 /nfs/dbraw/zinc/45/99/47/1018459947.db2.gz PBDWEGDIWOPRPM-ANLVUFKYSA-N -1 3 317.204 3.586 20 30 DHEDHM CC(C)c1ccc(C(=O)N(C)Cc2cccc(C#N)c2)c([O-])c1 ZINC000052512293 1018621516 /nfs/dbraw/zinc/62/15/16/1018621516.db2.gz VJHRUOXOTSMKKS-UHFFFAOYSA-N -1 3 308.381 3.659 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)c(C(F)(F)F)c2)c1O ZINC000255575792 1018624185 /nfs/dbraw/zinc/62/41/85/1018624185.db2.gz GMSVELBGBGCQJQ-UHFFFAOYSA-N -1 3 315.222 3.712 20 30 DHEDHM CC(C)(C)c1nc(C(=O)[N-]c2sc3c(c2C#N)CCC3)co1 ZINC000875007975 1032780690 /nfs/dbraw/zinc/78/06/90/1032780690.db2.gz PNTFFTSTVILEFG-UHFFFAOYSA-N -1 3 315.398 3.646 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(Cl)c2)ccc1[O-] ZINC000125297428 1032800904 /nfs/dbraw/zinc/80/09/04/1032800904.db2.gz RZFXGTWWNROSNS-ZZXKWVIFSA-N -1 3 318.756 3.959 20 30 DHEDHM CC(=NNc1ccc(Br)nc1)c1cc(F)ccc1[O-] ZINC000732711889 1020269928 /nfs/dbraw/zinc/26/99/28/1020269928.db2.gz LELMKSCBRMKJCF-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)cc2C)c1[O-] ZINC000161718845 1020411968 /nfs/dbraw/zinc/41/19/68/1020411968.db2.gz KCUGUYMCNZKFEF-UHFFFAOYSA-N -1 3 300.745 3.786 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(F)cc2Cl)c1[O-] ZINC000735978981 1020781777 /nfs/dbraw/zinc/78/17/77/1020781777.db2.gz RTNUTVAXEIHERH-FCRYFJGDSA-N -1 3 322.767 3.561 20 30 DHEDHM O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000255893343 1021020664 /nfs/dbraw/zinc/02/06/64/1021020664.db2.gz OJWJYXRGWTZJNE-DAXSKMNVSA-N -1 3 303.701 3.850 20 30 DHEDHM COc1ccc(O[C@@H](C)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000743044998 1021209441 /nfs/dbraw/zinc/20/94/41/1021209441.db2.gz WCXVVDJORFXGFN-MKFNJMOCSA-N -1 3 319.788 3.941 20 30 DHEDHM N#C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCCCC1 ZINC000776372119 1021314948 /nfs/dbraw/zinc/31/49/48/1021314948.db2.gz YOJMDZXIDAIOJS-LLVKDONJSA-N -1 3 301.173 3.951 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccccc1-n1ccnc1 ZINC000920178075 1022068215 /nfs/dbraw/zinc/06/82/15/1022068215.db2.gz OEWRQNHDRCMBDQ-RGVLZGJSSA-N -1 3 311.772 3.850 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2coc(C3CCC3)n2)c1C#N ZINC000766591383 1022243597 /nfs/dbraw/zinc/24/35/97/1022243597.db2.gz OZGNXDVYDZQNOG-UHFFFAOYSA-N -1 3 315.398 3.998 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1COC2(CCCCCC2)O1 ZINC000776725188 1022442862 /nfs/dbraw/zinc/44/28/62/1022442862.db2.gz FXYLZJIEYUPAGG-RPJLVFAOSA-N -1 3 323.820 3.930 20 30 DHEDHM C=CCCSCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000855384186 1022625202 /nfs/dbraw/zinc/62/52/02/1022625202.db2.gz ZTBLGVDSAAYACS-UHFFFAOYSA-N -1 3 307.440 3.646 20 30 DHEDHM Cc1ccc([O-])c(C=NN=C2c3ccccc3-c3ccccc32)n1 ZINC000728779601 1022854081 /nfs/dbraw/zinc/85/40/81/1022854081.db2.gz OXUARWAGAWQABS-UHFFFAOYSA-N -1 3 313.360 3.948 20 30 DHEDHM CC(=NN[C@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000788470500 1023889593 /nfs/dbraw/zinc/88/95/93/1023889593.db2.gz YKQLHKUCEFYNDA-LJQANCHMSA-N -1 3 320.392 3.593 20 30 DHEDHM C=CCc1ccnc(-c2ccc([O-])cc2F)c1C(OC)OC ZINC001206037665 1024241335 /nfs/dbraw/zinc/24/13/35/1024241335.db2.gz KJSAOZQUVKSLAD-UHFFFAOYSA-N -1 3 303.333 3.613 20 30 DHEDHM C=CCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCC1 ZINC000790806546 1024369687 /nfs/dbraw/zinc/36/96/87/1024369687.db2.gz HMLVRAMYIFJRMY-UHFFFAOYSA-N -1 3 313.319 4.000 20 30 DHEDHM N#CCOc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792060503 1024619951 /nfs/dbraw/zinc/61/99/51/1024619951.db2.gz JCXZTECKCJFCHN-UHFFFAOYSA-N -1 3 318.332 3.700 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@@H](c3ccccc3)C2)c1[O-] ZINC000792569609 1024693147 /nfs/dbraw/zinc/69/31/47/1024693147.db2.gz LAAJSPQQFXYBBS-FEHAJIJNSA-N -1 3 324.424 3.733 20 30 DHEDHM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)cc1C ZINC000187242159 1024985907 /nfs/dbraw/zinc/98/59/07/1024985907.db2.gz PAMVSOMKNUZIRA-HNNXBMFYSA-N -1 3 316.364 3.579 20 30 DHEDHM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000046439484 1025581001 /nfs/dbraw/zinc/58/10/01/1025581001.db2.gz FSMDUDZUIVIPNW-CYBMUJFWSA-N -1 3 312.332 3.601 20 30 DHEDHM [O-]c1ccc(CN(CCC(F)(F)F)CC(F)(F)F)cc1F ZINC000894124998 1026065528 /nfs/dbraw/zinc/06/55/28/1026065528.db2.gz RESLUFRFEOSWAC-UHFFFAOYSA-N -1 3 319.220 3.848 20 30 DHEDHM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ccccc2)cc1 ZINC000809258466 1026494832 /nfs/dbraw/zinc/49/48/32/1026494832.db2.gz URIFIONTMFMAMN-INIZCTEOSA-N -1 3 314.335 3.722 20 30 DHEDHM N#C[C@H]1CC=C(Nc2cc(Br)cc(F)c2[O-])CC1 ZINC001212865441 1028027027 /nfs/dbraw/zinc/02/70/27/1028027027.db2.gz IWXKVBSIMWPLLK-QMMMGPOBSA-N -1 3 311.154 3.913 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000816166020 1028749809 /nfs/dbraw/zinc/74/98/09/1028749809.db2.gz HMKCYLIKUDEQNU-ZDUSSCGKSA-N -1 3 301.283 3.910 20 30 DHEDHM C=CC[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000628062594 1028875513 /nfs/dbraw/zinc/87/55/13/1028875513.db2.gz LGVSOJUGASSWMH-NSHDSACASA-N -1 3 324.218 3.583 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1C ZINC000190926864 1029216072 /nfs/dbraw/zinc/21/60/72/1029216072.db2.gz SZNIPKMBABOBBZ-OAHLLOKOSA-N -1 3 301.349 3.737 20 30 DHEDHM COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c(F)c1 ZINC000794930603 1030390789 /nfs/dbraw/zinc/39/07/89/1030390789.db2.gz GNGKRYOYOZCLFE-GQCTYLIASA-N -1 3 308.255 3.714 20 30 DHEDHM CN(C)c1cc(F)ccc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794941684 1030420336 /nfs/dbraw/zinc/42/03/36/1030420336.db2.gz VACITYSLDJHUET-FNORWQNLSA-N -1 3 321.298 3.772 20 30 DHEDHM N=C(Nc1ccc2c(c1)[N-]C(=S)C2)c1ccc2ccccc2n1 ZINC001171051134 1030504716 /nfs/dbraw/zinc/50/47/16/1030504716.db2.gz HBVMMEHKIWOGLE-UHFFFAOYSA-N -1 3 318.405 3.567 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(C)c([N+](=O)[O-])c2)ccc1[O-] ZINC000008322759 1030851949 /nfs/dbraw/zinc/85/19/49/1030851949.db2.gz LPMQYGAEZOGMBB-FNORWQNLSA-N -1 3 313.309 3.514 20 30 DHEDHM CC[C@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843853941 1030868045 /nfs/dbraw/zinc/86/80/45/1030868045.db2.gz LQCUXEDAJQGDEQ-MRVPVSSYSA-N -1 3 321.154 3.894 20 30 DHEDHM CC[C@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000870691389 1031064213 /nfs/dbraw/zinc/06/42/13/1031064213.db2.gz JRVKTRVNOVWXLO-OAHLLOKOSA-N -1 3 324.380 3.561 20 30 DHEDHM N#CC(=C([O-])c1ccc(SC(F)(F)F)cc1)c1ccncn1 ZINC000760350512 1031678296 /nfs/dbraw/zinc/67/82/96/1031678296.db2.gz ALAMUBOTTYAUSO-NSHDSACASA-N -1 3 323.299 3.579 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](CC2CCC2)c2ccccc2)c1[O-] ZINC000777872827 1031695516 /nfs/dbraw/zinc/69/55/16/1031695516.db2.gz DMDHSICUCROXJJ-JJUBJSHISA-N -1 3 324.424 3.938 20 30 DHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H](F)c1ccccc1 ZINC000845843345 1031741128 /nfs/dbraw/zinc/74/11/28/1031741128.db2.gz CILDONAEPZGYSG-IRXDYDNUSA-N -1 3 321.351 3.707 20 30 DHEDHM N#CC(C(=O)[C@@H](F)c1ccccc1)=C([O-])C1(c2ccccc2)CC1 ZINC000845843345 1031741135 /nfs/dbraw/zinc/74/11/35/1031741135.db2.gz CILDONAEPZGYSG-IRXDYDNUSA-N -1 3 321.351 3.707 20 30 DHEDHM N#CC(=C([O-])c1cccc2nccnc21)c1nccc2ccccc21 ZINC000361531056 1031973723 /nfs/dbraw/zinc/97/37/23/1031973723.db2.gz OGABBGZWXGGRHP-MRXNPFEDSA-N -1 3 324.343 3.668 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000846546536 1031997201 /nfs/dbraw/zinc/99/72/01/1031997201.db2.gz CRXGAJLBEWSEKU-GHMZBOCLSA-N -1 3 312.207 3.565 20 30 DHEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C#N)cc2Cl)n1 ZINC000339036476 1033834906 /nfs/dbraw/zinc/83/49/06/1033834906.db2.gz SXGRSPOTYNKNKG-SECBINFHSA-N -1 3 305.790 3.869 20 30 DHEDHM N#CCc1cccc2c1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000862542609 1033881481 /nfs/dbraw/zinc/88/14/81/1033881481.db2.gz VANWIQJVAFFZJI-UHFFFAOYSA-N -1 3 312.800 3.670 20 30 DHEDHM CSC1(CN=Nc2nc3ccccc3[n-]c2=S)CCC1 ZINC000863124885 1034000285 /nfs/dbraw/zinc/00/02/85/1034000285.db2.gz HBUSCVGPHWIRKS-UHFFFAOYSA-N -1 3 304.444 3.976 20 30 DHEDHM Cc1cc(C#N)ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186332494 1034621063 /nfs/dbraw/zinc/62/10/63/1034621063.db2.gz PQLULQXXFUHSPB-LBPRGKRZSA-N -1 3 306.365 3.726 20 30 DHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccnn1CC1CCC1 ZINC000899411889 1034649057 /nfs/dbraw/zinc/64/90/57/1034649057.db2.gz CMTUKZSXDWKROM-XQRVVYSFSA-N -1 3 318.323 3.563 20 30 DHEDHM Cc1occc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000899895249 1034951267 /nfs/dbraw/zinc/95/12/67/1034951267.db2.gz MJJYNNNKMKNXMA-UHFFFAOYSA-N -1 3 300.141 3.926 20 30 DHEDHM N#Cc1cc(F)cc(Nc2cccc([O-])c2Br)c1 ZINC001175688715 1035084379 /nfs/dbraw/zinc/08/43/79/1035084379.db2.gz BWDJTDDCKCKCKN-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1ccc(Nc2cc([O-])cc(Cl)c2)c(Br)n1 ZINC001176620530 1035302527 /nfs/dbraw/zinc/30/25/27/1035302527.db2.gz JRGFDAUFMKOFKR-UHFFFAOYSA-N -1 3 324.565 3.818 20 30 DHEDHM CC(=NNc1cncc(Br)c1)c1ccc([O-])cc1F ZINC000758129929 1035323858 /nfs/dbraw/zinc/32/38/58/1035323858.db2.gz MPEQDOBDCKGOQE-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM CCCCCCN([O-])C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000904205558 1035385504 /nfs/dbraw/zinc/38/55/04/1035385504.db2.gz MUDSBMABIMTEKF-UHFFFAOYSA-N -1 3 323.418 3.529 20 30 DHEDHM N#Cc1ccncc1C(=O)Nc1cc(C2CCCCC2)ccc1[O-] ZINC001192975040 1035532981 /nfs/dbraw/zinc/53/29/81/1035532981.db2.gz DJJPUNSVELNBSS-UHFFFAOYSA-N -1 3 321.380 3.959 20 30 DHEDHM C[C@H](C#N)Oc1ccccc1NCc1cc(F)c(F)cc1[O-] ZINC001180301172 1035638106 /nfs/dbraw/zinc/63/81/06/1035638106.db2.gz KAWKFEUYMOCHGW-SNVBAGLBSA-N -1 3 304.296 3.573 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC001181112442 1035833477 /nfs/dbraw/zinc/83/34/77/1035833477.db2.gz PDPFIMLUMDMAMV-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC001181112442 1035833498 /nfs/dbraw/zinc/83/34/98/1035833498.db2.gz PDPFIMLUMDMAMV-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C(C)(C)CC2 ZINC000906264043 1035893439 /nfs/dbraw/zinc/89/34/39/1035893439.db2.gz DSUQYLKBWONUIV-UHFFFAOYSA-N -1 3 315.398 3.646 20 30 DHEDHM C#CCCCCCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001182185324 1036118519 /nfs/dbraw/zinc/11/85/19/1036118519.db2.gz AGAFXCOQTRNQOP-UHFFFAOYSA-N -1 3 316.327 3.516 20 30 DHEDHM C#CCCCCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001182185324 1036118527 /nfs/dbraw/zinc/11/85/27/1036118527.db2.gz AGAFXCOQTRNQOP-UHFFFAOYSA-N -1 3 316.327 3.516 20 30 DHEDHM CC(C)c1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2o1 ZINC000914702387 1036253524 /nfs/dbraw/zinc/25/35/24/1036253524.db2.gz DFVNCIGDZHNJCZ-UHFFFAOYSA-N -1 3 312.325 3.819 20 30 DHEDHM COc1cc(/C=C\C(=O)c2scnc2C)cc(Cl)c1[O-] ZINC000915054195 1036581252 /nfs/dbraw/zinc/58/12/52/1036581252.db2.gz OQHYJERDSWOCPM-ARJAWSKDSA-N -1 3 309.774 3.715 20 30 DHEDHM N#Cc1cc(NC(=O)c2ccc(-c3cccs3)nc2)ccc1[O-] ZINC001196786937 1036611424 /nfs/dbraw/zinc/61/14/24/1036611424.db2.gz ZJNCPUCCMMZDRP-UHFFFAOYSA-N -1 3 321.361 3.640 20 30 DHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)c([O-])c3)o2)cc1 ZINC001197395472 1036763433 /nfs/dbraw/zinc/76/34/33/1036763433.db2.gz CDCONEDWQPHIJU-UHFFFAOYSA-N -1 3 322.295 3.915 20 30 DHEDHM CCc1cc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1 ZINC000487909668 1036768665 /nfs/dbraw/zinc/76/86/65/1036768665.db2.gz KCLHQIUWHZXYGV-CYBMUJFWSA-N -1 3 307.353 3.825 20 30 DHEDHM COc1cc(C)sc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283444 1036802007 /nfs/dbraw/zinc/80/20/07/1036802007.db2.gz KINSAOCGPPYIGS-UHFFFAOYSA-N -1 3 311.790 3.750 20 30 DHEDHM O=C([C@H]1CCOc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001184283404 1036804580 /nfs/dbraw/zinc/80/45/80/1036804580.db2.gz IJLGYYRFDOEWOY-AWEZNQCLSA-N -1 3 317.772 3.624 20 30 DHEDHM N#Cc1ccc(NC(=O)Nc2nc3c(cccc3[O-])s2)cc1 ZINC001184708055 1036931924 /nfs/dbraw/zinc/93/19/24/1036931924.db2.gz DNBROUKQPWCWMS-UHFFFAOYSA-N -1 3 310.338 3.518 20 30 DHEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185477981 1037153422 /nfs/dbraw/zinc/15/34/22/1037153422.db2.gz UASWZRJCCKURKS-UHFFFAOYSA-N -1 3 321.398 3.877 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(C)c(C)c2)c(OC)cc1[O-] ZINC000763106133 1037259824 /nfs/dbraw/zinc/25/98/24/1037259824.db2.gz OELVNHVXIQFNBN-BQYQJAHWSA-N -1 3 312.365 3.922 20 30 DHEDHM Cc1cc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c(F)cc1F ZINC001186380701 1037398164 /nfs/dbraw/zinc/39/81/64/1037398164.db2.gz BWYUEDWFJDIQRE-UHFFFAOYSA-N -1 3 308.234 3.675 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)sc2nccc(C)c12 ZINC000489862283 1037548486 /nfs/dbraw/zinc/54/84/86/1037548486.db2.gz QTVPUVGXBMZVDK-GFCCVEGCSA-N -1 3 307.378 3.798 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2cc(F)cc(F)c2)c1C#N ZINC001187544249 1037654334 /nfs/dbraw/zinc/65/43/34/1037654334.db2.gz PRWBWVFDZFFYMJ-UHFFFAOYSA-N -1 3 320.299 3.766 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(F)cc1OC ZINC001188012989 1037787105 /nfs/dbraw/zinc/78/71/05/1037787105.db2.gz MVLKSHKISIGFSY-UHFFFAOYSA-N -1 3 317.426 3.937 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=CSc2ccccc2)nc(C)n1 ZINC000916880765 1038019539 /nfs/dbraw/zinc/01/95/39/1038019539.db2.gz XRUXQUULIMIWCL-HVHJFMEUSA-N -1 3 309.394 3.576 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2c(Cl)cccc2Cl)c1C#N ZINC001202089918 1038027294 /nfs/dbraw/zinc/02/72/94/1038027294.db2.gz ANKOANBXLMJJBY-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)co1 ZINC000588886442 1038400074 /nfs/dbraw/zinc/40/00/74/1038400074.db2.gz RJUFOWLPEQLZOZ-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000602344811 1040974708 /nfs/dbraw/zinc/97/47/08/1040974708.db2.gz WUJBZHYUVZBNIU-SCZZXKLOSA-N -1 3 315.398 3.854 20 30 DHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000190649002 334973643 /nfs/dbraw/zinc/97/36/43/334973643.db2.gz FEEANLSHQOROMM-AWEZNQCLSA-N -1 3 309.325 3.603 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)c(OC)cc1Cl ZINC000417620070 335013896 /nfs/dbraw/zinc/01/38/96/335013896.db2.gz CKCGBLOOXMDCOB-JTQLQIEISA-N -1 3 318.200 3.511 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000417631667 335020012 /nfs/dbraw/zinc/02/00/12/335020012.db2.gz VZRXWXWRNUOELU-AWEZNQCLSA-N -1 3 317.360 3.903 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@H]3C)no1 ZINC000297907659 132040146 /nfs/dbraw/zinc/04/01/46/132040146.db2.gz RKBISMLCLOMXMN-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000297952867 132042291 /nfs/dbraw/zinc/04/22/91/132042291.db2.gz VBBVZHIKQVWKQP-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM N#C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C1CC1 ZINC000601069815 435328123 /nfs/dbraw/zinc/32/81/23/435328123.db2.gz NKISHUNOTBKHFR-NSHDSACASA-N -1 3 306.391 3.815 20 30 DHEDHM CCCN1C(=O)CCc2cc(/N=C/c3ccccc3[O-])ccc21 ZINC000090987708 332097618 /nfs/dbraw/zinc/09/76/18/332097618.db2.gz RQCJBRNKQCBPAO-DEDYPNTBSA-N -1 3 308.381 3.832 20 30 DHEDHM CN(C)C(=O)C1(C/N=C/c2c([O-])ccc3ccccc32)CCCC1 ZINC000113006298 332318412 /nfs/dbraw/zinc/31/84/12/332318412.db2.gz IGDOXTDWVBTGTK-FYJGNVAPSA-N -1 3 324.424 3.613 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC000410984738 333616441 /nfs/dbraw/zinc/61/64/41/333616441.db2.gz LYYPPJUZTRFENA-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM CCCOc1ccc(/C=N/C[C@@](C)(O)c2cccs2)c([O-])c1 ZINC000265716039 333968049 /nfs/dbraw/zinc/96/80/49/333968049.db2.gz PTBQVIKHLZEYFH-AUUUKSDWSA-N -1 3 319.426 3.569 20 30 DHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])[C@@H]1CCCCO1 ZINC000271969466 334029234 /nfs/dbraw/zinc/02/92/34/334029234.db2.gz WJGIFQVOPNOGGV-JTAOIJCTSA-N -1 3 312.207 3.531 20 30 DHEDHM N#CC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCCC1 ZINC000293523550 334198758 /nfs/dbraw/zinc/19/87/58/334198758.db2.gz YNQMRFFETFLCIO-UHFFFAOYSA-N -1 3 305.337 3.931 20 30 DHEDHM N#Cc1csc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000342946509 334591903 /nfs/dbraw/zinc/59/19/03/334591903.db2.gz XZXLWVKWXGYONQ-UHFFFAOYSA-N -1 3 312.272 3.596 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000331224835 334842655 /nfs/dbraw/zinc/84/26/55/334842655.db2.gz BOFQOYXXLRGRPX-CHWSQXEVSA-N -1 3 304.390 3.914 20 30 DHEDHM Cc1csc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C#N ZINC000344893741 335283342 /nfs/dbraw/zinc/28/33/42/335283342.db2.gz LJONZVJJWZBRNO-UHFFFAOYSA-N -1 3 321.745 3.742 20 30 DHEDHM C=CC[C@@H]1N(C(=O)c2ccc([O-])c(OC)c2)CCCC1(C)C ZINC000444627940 338477339 /nfs/dbraw/zinc/47/73/39/338477339.db2.gz BQLRDOZJCALSQJ-INIZCTEOSA-N -1 3 303.402 3.608 20 30 DHEDHM Cc1cscc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345250342 335311981 /nfs/dbraw/zinc/31/19/81/335311981.db2.gz NCMQSCQDOYYVEU-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cs1 ZINC000345427421 335325385 /nfs/dbraw/zinc/32/53/85/335325385.db2.gz LTQJKHHCBFIPCY-LBPRGKRZSA-N -1 3 323.377 3.626 20 30 DHEDHM Cc1ccc([O-])c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000352198309 336201462 /nfs/dbraw/zinc/20/14/62/336201462.db2.gz KKJRTVHFTLOBCL-QGZVFWFLSA-N -1 3 308.381 3.866 20 30 DHEDHM C=CCOc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1OC ZINC000179558233 337170334 /nfs/dbraw/zinc/17/03/34/337170334.db2.gz OCMYMSRKXLHKMA-UHFFFAOYSA-N -1 3 313.353 3.526 20 30 DHEDHM Cc1scc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000180731537 337177568 /nfs/dbraw/zinc/17/75/68/337177568.db2.gz CBQCTMVLSLRCGH-GFCCVEGCSA-N -1 3 309.394 3.742 20 30 DHEDHM C=CCOc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431761252 338138244 /nfs/dbraw/zinc/13/82/44/338138244.db2.gz ZNNBKFMOKRJEJF-UHFFFAOYSA-N -1 3 303.745 3.863 20 30 DHEDHM C=CCC(C)(C)CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000432152937 338147306 /nfs/dbraw/zinc/14/73/06/338147306.db2.gz BKAPMZGDFSYXQU-UHFFFAOYSA-N -1 3 312.417 3.821 20 30 DHEDHM N#Cc1ccccc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432696544 338163426 /nfs/dbraw/zinc/16/34/26/338163426.db2.gz SYVWUDZPFNBHAR-QGOAFFKASA-N -1 3 313.360 3.837 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(OC)cc1[O-] ZINC000436545586 338276259 /nfs/dbraw/zinc/27/62/59/338276259.db2.gz RUDDEPXYBJQNAD-UHFFFAOYSA-N -1 3 303.402 3.609 20 30 DHEDHM C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccc(C#N)cc1 ZINC000436724151 338284341 /nfs/dbraw/zinc/28/43/41/338284341.db2.gz RLRFYXRXWZSICQ-ZDUSSCGKSA-N -1 3 320.392 3.634 20 30 DHEDHM CCc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c([O-])c1 ZINC000436819178 338288512 /nfs/dbraw/zinc/28/85/12/338288512.db2.gz XJALBZHHKJDSRG-UHFFFAOYSA-N -1 3 324.380 3.889 20 30 DHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(Cl)ccn3)on2)c1 ZINC000447480042 338552688 /nfs/dbraw/zinc/55/26/88/338552688.db2.gz GCYMEVMEQSQKAW-UHFFFAOYSA-N -1 3 324.727 3.514 20 30 DHEDHM CCOc1cc(CN(C[C@H](C)C#N)C2CC2)cc(Cl)c1[O-] ZINC000459351710 339023826 /nfs/dbraw/zinc/02/38/26/339023826.db2.gz JVQBMCSPLWIJDF-LLVKDONJSA-N -1 3 308.809 3.568 20 30 DHEDHM CCOCc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1 ZINC000459592666 339037815 /nfs/dbraw/zinc/03/78/15/339037815.db2.gz VGHOHSMAMZTYTR-UHFFFAOYSA-N -1 3 316.386 3.504 20 30 DHEDHM C[C@@H](/N=C\c1ccccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000491970202 339888112 /nfs/dbraw/zinc/88/81/12/339888112.db2.gz YBGUCDVGAYZXST-CQLSMYGBSA-N -1 3 310.353 3.529 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)CNc2ccc(C#N)cc2)c([O-])c1 ZINC000506252540 340190175 /nfs/dbraw/zinc/19/01/75/340190175.db2.gz HFARAYQNLQLJBS-UHFFFAOYSA-N -1 3 323.396 3.612 20 30 DHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1[O-] ZINC000301750208 340260505 /nfs/dbraw/zinc/26/05/05/340260505.db2.gz QLLKPYSKUMJERS-UHFFFAOYSA-N -1 3 307.802 3.936 20 30 DHEDHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000124609236 340800031 /nfs/dbraw/zinc/80/00/31/340800031.db2.gz YTIUCQZPXXHMGJ-AWEZNQCLSA-N -1 3 308.381 3.796 20 30 DHEDHM CCc1cnccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000543576898 341049394 /nfs/dbraw/zinc/04/93/94/341049394.db2.gz VXNLXDDSWDSJDC-CYBMUJFWSA-N -1 3 319.286 3.548 20 30 DHEDHM C[C@@](C#N)(NC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000550802510 341323225 /nfs/dbraw/zinc/32/32/25/341323225.db2.gz FSVMPLLZRLBFTL-INIZCTEOSA-N -1 3 306.793 3.638 20 30 DHEDHM C[C@](C#N)(NC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000550802511 341323290 /nfs/dbraw/zinc/32/32/90/341323290.db2.gz FSVMPLLZRLBFTL-MRXNPFEDSA-N -1 3 306.793 3.638 20 30 DHEDHM Cc1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)ns1 ZINC000577468087 341911069 /nfs/dbraw/zinc/91/10/69/341911069.db2.gz BFUNYOAKKTXHGF-UHFFFAOYSA-N -1 3 305.428 3.935 20 30 DHEDHM CC(C)=CCCC(C)=CC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820005147 607253707 /nfs/dbraw/zinc/25/37/07/607253707.db2.gz KNMXXMIGULFOLG-TWERBRQASA-N -1 3 324.432 3.635 20 30 DHEDHM CC(C)=CCCC(C)=CC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820005147 607253708 /nfs/dbraw/zinc/25/37/08/607253708.db2.gz KNMXXMIGULFOLG-TWERBRQASA-N -1 3 324.432 3.635 20 30 DHEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000736137612 598649993 /nfs/dbraw/zinc/64/99/93/598649993.db2.gz LKUBCGBBDVKOQK-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000736137612 598649994 /nfs/dbraw/zinc/64/99/94/598649994.db2.gz LKUBCGBBDVKOQK-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](SCc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736191318 599325852 /nfs/dbraw/zinc/32/58/52/599325852.db2.gz HZOYJSHJMADTHC-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](SCc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736191318 599325854 /nfs/dbraw/zinc/32/58/54/599325854.db2.gz HZOYJSHJMADTHC-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000736661071 600562449 /nfs/dbraw/zinc/56/24/49/600562449.db2.gz DCKQYUILFMJPPL-BZNIZROVSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000736663381 600590018 /nfs/dbraw/zinc/59/00/18/600590018.db2.gz YJPOZWCCWABRMV-MEDUHNTESA-N -1 3 314.772 3.688 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822225140 607456571 /nfs/dbraw/zinc/45/65/71/607456571.db2.gz PYZMUPULCIRNHI-BQYQJAHWSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822225140 607456572 /nfs/dbraw/zinc/45/65/72/607456572.db2.gz PYZMUPULCIRNHI-BQYQJAHWSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196243 607460351 /nfs/dbraw/zinc/46/03/51/607460351.db2.gz AXTRCYINRONVNO-AATRIKPKSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196243 607460352 /nfs/dbraw/zinc/46/03/52/607460352.db2.gz AXTRCYINRONVNO-AATRIKPKSA-N -1 3 322.343 3.519 20 30 DHEDHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827124649 601301919 /nfs/dbraw/zinc/30/19/19/601301919.db2.gz RPVDSCJQTLCBPW-GOSISDBHSA-N -1 3 308.381 3.597 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403153 607528171 /nfs/dbraw/zinc/52/81/71/607528171.db2.gz LDFKWBIMLANRHC-MDZDMXLPSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403153 607528172 /nfs/dbraw/zinc/52/81/72/607528172.db2.gz LDFKWBIMLANRHC-MDZDMXLPSA-N -1 3 316.320 3.509 20 30 DHEDHM C[C@@H]1CC(=Cc2cc(-c3nnn[n-]3)cs2)C(=O)c2ccccc21 ZINC000824860547 607681367 /nfs/dbraw/zinc/68/13/67/607681367.db2.gz VNFSTDQRRDDPGJ-UEUZTHOGSA-N -1 3 322.393 3.702 20 30 DHEDHM C[C@@H]1CC(=Cc2cc(-c3nn[n-]n3)cs2)C(=O)c2ccccc21 ZINC000824860547 607681368 /nfs/dbraw/zinc/68/13/68/607681368.db2.gz VNFSTDQRRDDPGJ-UEUZTHOGSA-N -1 3 322.393 3.702 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1C(=O)[O-] ZINC000833374711 604592037 /nfs/dbraw/zinc/59/20/37/604592037.db2.gz ZDVOFHKRCOWFAI-UHFFFAOYSA-N -1 3 311.381 3.582 20 30 DHEDHM Cc1ccc(C[C@H](C)N(C)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833749023 604611604 /nfs/dbraw/zinc/61/16/04/604611604.db2.gz ZGTRIAPEXLTKIH-HNNXBMFYSA-N -1 3 322.408 3.628 20 30 DHEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503376 606388098 /nfs/dbraw/zinc/38/80/98/606388098.db2.gz FECIAZNAQWWREK-ZRDIBKRKSA-N -1 3 322.393 3.531 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000826305292 608318788 /nfs/dbraw/zinc/31/87/88/608318788.db2.gz QXTXADAXOULJMA-KPENOIPVSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000826305292 608318790 /nfs/dbraw/zinc/31/87/90/608318790.db2.gz QXTXADAXOULJMA-KPENOIPVSA-N -1 3 316.364 3.559 20 30 DHEDHM C=CCC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894407 946503102 /nfs/dbraw/zinc/50/31/02/946503102.db2.gz PITLUJWPRABISG-HNNXBMFYSA-N -1 3 320.400 3.690 20 30 DHEDHM C=CCC[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894407 946503111 /nfs/dbraw/zinc/50/31/11/946503111.db2.gz PITLUJWPRABISG-HNNXBMFYSA-N -1 3 320.400 3.690 20 30 DHEDHM C=C(C)c1cccc(NCc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001573295170 947009795 /nfs/dbraw/zinc/00/97/95/947009795.db2.gz PBGMGDZOEXYXOJ-UHFFFAOYSA-N -1 3 309.348 3.651 20 30 DHEDHM C=C(C)c1cccc(NCc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001573295170 947009805 /nfs/dbraw/zinc/00/98/05/947009805.db2.gz PBGMGDZOEXYXOJ-UHFFFAOYSA-N -1 3 309.348 3.651 20 30 DHEDHM C=CCCCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC001573334934 947467753 /nfs/dbraw/zinc/46/77/53/947467753.db2.gz JTHIOBYMGMZBMT-UHFFFAOYSA-N -1 3 315.446 3.507 20 30 DHEDHM C=CCCCCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC001573334934 947467757 /nfs/dbraw/zinc/46/77/57/947467757.db2.gz JTHIOBYMGMZBMT-UHFFFAOYSA-N -1 3 315.446 3.507 20 30 DHEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC001589175303 956494231 /nfs/dbraw/zinc/49/42/31/956494231.db2.gz XLKFMYPYXQAQMH-LLVKDONJSA-N -1 3 300.383 3.511 20 30 DHEDHM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331248022 1013870800 /nfs/dbraw/zinc/87/08/00/1013870800.db2.gz WMHNBRWERKKSNN-QWHCGFSZSA-N -1 3 307.415 3.574 20 30 DHEDHM C=CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000656760049 975687004 /nfs/dbraw/zinc/68/70/04/975687004.db2.gz OZBMKFPVWMZEPJ-IAQYHMDHSA-N -1 3 311.784 3.893 20 30 DHEDHM N#CC(=C([O-])c1ccncc1Oc1ccccc1)c1ccccn1 ZINC000442097781 1014629404 /nfs/dbraw/zinc/62/94/04/1014629404.db2.gz XVIBBYXGESSZAU-INIZCTEOSA-N -1 3 315.332 3.759 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cccc(SC(F)F)c2)c1O ZINC000255312337 1014923631 /nfs/dbraw/zinc/92/36/31/1014923631.db2.gz CEYUOYMGCXMNPV-UHFFFAOYSA-N -1 3 311.309 3.869 20 30 DHEDHM CC(C)(C(=O)[O-])[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC001589601364 987426636 /nfs/dbraw/zinc/42/66/36/987426636.db2.gz KVKHAYHSWARDOR-HNNXBMFYSA-N -1 3 314.410 3.561 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC001593194569 994136674 /nfs/dbraw/zinc/13/66/74/994136674.db2.gz JLDRADRNALWYGA-BFUOFWGJSA-N -1 3 320.392 3.912 20 30 DHEDHM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1ccsc1C#N ZINC001147307046 1032301530 /nfs/dbraw/zinc/30/15/30/1032301530.db2.gz IQSAZBZAPPNVSS-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM C=CCOc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001148463963 1032402855 /nfs/dbraw/zinc/40/28/55/1032402855.db2.gz RSQRNFGSMOKVHA-UHFFFAOYSA-N -1 3 303.745 3.863 20 30 DHEDHM CC(C)(C)OC(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000093244571 1032526660 /nfs/dbraw/zinc/52/66/60/1032526660.db2.gz GAQUWQNWZRVPMM-OAHLLOKOSA-N -1 3 322.364 3.527 20 30 DHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000121868259 1017387511 /nfs/dbraw/zinc/38/75/11/1017387511.db2.gz KDFALCZARZFNMW-CQSZACIVSA-N -1 3 318.380 3.582 20 30 DHEDHM CCc1ccc([O-])c(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000523318693 1017614669 /nfs/dbraw/zinc/61/46/69/1017614669.db2.gz ZHFMRVPBABWTIZ-UHFFFAOYSA-N -1 3 324.380 3.889 20 30 DHEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1cc(F)c([O-])c(F)c1 ZINC001213374965 1017738705 /nfs/dbraw/zinc/73/87/05/1017738705.db2.gz IKIFUWSNDVUFFX-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM C=CCN(Cc1c(C(=O)[O-])sc2cccc(F)c21)C1CC1 ZINC000382485144 1018325055 /nfs/dbraw/zinc/32/50/55/1018325055.db2.gz TWWMKUVBPFEWRQ-UHFFFAOYSA-N -1 3 305.374 3.889 20 30 DHEDHM CCC(N=Nc1ncnc2ccsc21)c1ccc([O-])c(F)c1 ZINC000764842116 1018400796 /nfs/dbraw/zinc/40/07/96/1018400796.db2.gz XVCKPBFAEMBOGJ-UHFFFAOYSA-N -1 3 316.361 3.762 20 30 DHEDHM C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111210624 1019006002 /nfs/dbraw/zinc/00/60/02/1019006002.db2.gz QWQSHWMSFUNOSG-UHFFFAOYSA-N -1 3 303.745 3.863 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc(OCC#N)c1 ZINC000730151848 1019956334 /nfs/dbraw/zinc/95/63/34/1019956334.db2.gz RDLNWWROVZDKTF-ZTMOJVSCSA-N -1 3 323.323 3.817 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@]1(O)CCCc2ccccc21 ZINC000731320208 1020091170 /nfs/dbraw/zinc/09/11/70/1020091170.db2.gz XBCKKGWSPRQBAQ-PQFHHTBUSA-N -1 3 315.800 3.689 20 30 DHEDHM COc1cc(/C=C/C(=O)c2ccc(Cl)nc2)cc(Cl)c1[O-] ZINC000179412836 1020345155 /nfs/dbraw/zinc/34/51/55/1020345155.db2.gz UKFDXEFFZXLLNB-DUXPYHPUSA-N -1 3 324.163 3.999 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ncccc1Cl ZINC000255772183 1020374778 /nfs/dbraw/zinc/37/47/78/1020374778.db2.gz LYXGUCKUVYESNS-MFOYZWKCSA-N -1 3 311.168 3.592 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)CCC2CCCCC2)c1[O-] ZINC000734303296 1020584714 /nfs/dbraw/zinc/58/47/14/1020584714.db2.gz KDDFKIJDFVNGKN-LPXFMOJISA-N -1 3 304.434 3.756 20 30 DHEDHM COc1cccc(O[C@@H](C)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000741844127 1021065437 /nfs/dbraw/zinc/06/54/37/1021065437.db2.gz NVUJOEYJBAAQQX-MKFNJMOCSA-N -1 3 319.788 3.941 20 30 DHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1OC(C)C ZINC000659030583 1021123345 /nfs/dbraw/zinc/12/33/45/1021123345.db2.gz QOKZBFLGZZKRAT-INIZCTEOSA-N -1 3 322.364 3.561 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)OCCC#Cc3ccccc3)n[n-]2)o1 ZINC000744188451 1021464500 /nfs/dbraw/zinc/46/45/00/1021464500.db2.gz BRQSRINHTXEQJP-UHFFFAOYSA-N -1 3 320.348 3.577 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)OCCC#Cc3ccccc3)[n-]n2)o1 ZINC000744188451 1021464506 /nfs/dbraw/zinc/46/45/06/1021464506.db2.gz BRQSRINHTXEQJP-UHFFFAOYSA-N -1 3 320.348 3.577 20 30 DHEDHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000387316126 1022059167 /nfs/dbraw/zinc/05/91/67/1022059167.db2.gz QEMAQBIBMTVENF-HNNXBMFYSA-N -1 3 317.410 3.619 20 30 DHEDHM CCNC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000920943723 1022193976 /nfs/dbraw/zinc/19/39/76/1022193976.db2.gz GCQTXFHFZGMRII-UHFFFAOYSA-N -1 3 302.761 3.546 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)OCCCCC(C)(C)C#N)n[n-]2)o1 ZINC000768597444 1022998049 /nfs/dbraw/zinc/99/80/49/1022998049.db2.gz VURPLFMBIBKARH-UHFFFAOYSA-N -1 3 315.373 3.855 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)OCCCCC(C)(C)C#N)[n-]n2)o1 ZINC000768597444 1022998063 /nfs/dbraw/zinc/99/80/63/1022998063.db2.gz VURPLFMBIBKARH-UHFFFAOYSA-N -1 3 315.373 3.855 20 30 DHEDHM C=CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622144439 1023053368 /nfs/dbraw/zinc/05/33/68/1023053368.db2.gz HBTSODJOGLHJIN-LLVKDONJSA-N -1 3 313.319 3.839 20 30 DHEDHM CCn1nc(/C=C/C(=O)c2ccc([O-])c(C)c2)c2ccccc21 ZINC000769741308 1023207619 /nfs/dbraw/zinc/20/76/19/1023207619.db2.gz RJQUPVSXPXYRSC-PKNBQFBNSA-N -1 3 306.365 3.966 20 30 DHEDHM N#C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000787841782 1023824691 /nfs/dbraw/zinc/82/46/91/1023824691.db2.gz ABOPMTJLZDRYRU-QGZVFWFLSA-N -1 3 319.376 3.870 20 30 DHEDHM N#CCn1cc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cn1 ZINC000788531602 1023906357 /nfs/dbraw/zinc/90/63/57/1023906357.db2.gz GDGRHEJMRJATCV-UHFFFAOYSA-N -1 3 308.128 3.598 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCC#N)c2)CC)n1 ZINC000789828785 1024173611 /nfs/dbraw/zinc/17/36/11/1024173611.db2.gz CVYVLVOJQXJMHS-PTNGSMBKSA-N -1 3 323.396 3.575 20 30 DHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)cc(C(F)(F)F)c1 ZINC000792568210 1024690188 /nfs/dbraw/zinc/69/01/88/1024690188.db2.gz DUSZPLXQKIQBQT-UHFFFAOYSA-N -1 3 311.259 3.881 20 30 DHEDHM N#CC[C@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228957791 1024822058 /nfs/dbraw/zinc/82/20/58/1024822058.db2.gz WGPJZEUQVNMCCE-ZDUSSCGKSA-N -1 3 319.158 3.583 20 30 DHEDHM CC(C)c1c(Cl)ncnc1N=NC(C)c1c([O-])cccc1F ZINC000884460617 1025126973 /nfs/dbraw/zinc/12/69/73/1025126973.db2.gz GENTTYCFYUAOCE-UHFFFAOYSA-N -1 3 322.771 3.934 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1C1CCCCC1 ZINC000354475161 1025441003 /nfs/dbraw/zinc/44/10/03/1025441003.db2.gz YCLIBOGOSJYOGG-KRWDZBQOSA-N -1 3 322.412 3.890 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)[nH]2)ccc1[O-] ZINC000806566696 1025926662 /nfs/dbraw/zinc/92/66/62/1025926662.db2.gz ABQHDFWTOYSIIX-ZZXKWVIFSA-N -1 3 311.259 3.644 20 30 DHEDHM CCOc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCCC1 ZINC000178769248 1026043512 /nfs/dbraw/zinc/04/35/12/1026043512.db2.gz GZAZDDXHJGJYKH-UHFFFAOYSA-N -1 3 322.355 3.520 20 30 DHEDHM C=CCCC1(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000356463311 1026059091 /nfs/dbraw/zinc/05/90/91/1026059091.db2.gz INWJGELTACOGCR-UHFFFAOYSA-N -1 3 324.218 3.517 20 30 DHEDHM C=CC[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000629366830 1026156517 /nfs/dbraw/zinc/15/65/17/1026156517.db2.gz ZFBJNMQVNJREDW-LLVKDONJSA-N -1 3 324.218 3.545 20 30 DHEDHM [O-]c1cccc(Cl)c1CN=Nc1nccnc1C1CCC1 ZINC000807994070 1026171212 /nfs/dbraw/zinc/17/12/12/1026171212.db2.gz LKAYTXJTRUQKFW-UHFFFAOYSA-N -1 3 302.765 3.549 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)c(F)c2)CC)n1 ZINC000421127266 1026936012 /nfs/dbraw/zinc/93/60/12/1026936012.db2.gz KGEOQERHVANVHM-MDWZMJQESA-N -1 3 311.360 3.684 20 30 DHEDHM O=[N+]([O-])c1c(F)cccc1NN=Cc1cccc([O-])c1Cl ZINC000814918850 1028299254 /nfs/dbraw/zinc/29/92/54/1028299254.db2.gz HIGMVCRYLFHCGU-UHFFFAOYSA-N -1 3 309.684 3.539 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000815773074 1028624418 /nfs/dbraw/zinc/62/44/18/1028624418.db2.gz BBNHELRWNFNFEK-SECBINFHSA-N -1 3 323.261 3.974 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cocc1C ZINC000528920774 1028931311 /nfs/dbraw/zinc/93/13/11/1028931311.db2.gz ROCTXOUYKGXHEO-OAHLLOKOSA-N -1 3 324.380 3.674 20 30 DHEDHM C#C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1 ZINC000816617182 1028965183 /nfs/dbraw/zinc/96/51/83/1028965183.db2.gz QFYDMQMEZMZXGL-OAHLLOKOSA-N -1 3 307.727 3.788 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000410984733 1028992631 /nfs/dbraw/zinc/99/26/31/1028992631.db2.gz LYYPPJUZTRFENA-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM CC(C)n1nccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000794939984 1030415732 /nfs/dbraw/zinc/41/57/32/1030415732.db2.gz VGSLWDOMZTZNAK-MJWAUXSNSA-N -1 3 300.333 3.692 20 30 DHEDHM COc1cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)ccc1F ZINC000794947302 1030433785 /nfs/dbraw/zinc/43/37/85/1030433785.db2.gz WDKGRAYZUHFIAW-ZZXKWVIFSA-N -1 3 308.255 3.714 20 30 DHEDHM C=CCOC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001212009205 1030650568 /nfs/dbraw/zinc/65/05/68/1030650568.db2.gz KLDJTMMRYVTLJW-UHFFFAOYSA-N -1 3 323.270 3.896 20 30 DHEDHM C=CCOC(=O)c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001212013798 1030657510 /nfs/dbraw/zinc/65/75/10/1030657510.db2.gz KOJAGEKFAABGAK-UHFFFAOYSA-N -1 3 305.280 3.757 20 30 DHEDHM CC(C)(O)C#Cc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212013925 1030661156 /nfs/dbraw/zinc/66/11/56/1030661156.db2.gz PYTLAKSLYVODCN-UHFFFAOYSA-N -1 3 303.308 3.536 20 30 DHEDHM C=CCC[C@@H](NCc1ccc2ccccc2c1[O-])C(=O)OCC ZINC000825117464 1030726787 /nfs/dbraw/zinc/72/67/87/1030726787.db2.gz DUIFMZDETWJHDX-QGZVFWFLSA-N -1 3 313.397 3.533 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000844655178 1031273630 /nfs/dbraw/zinc/27/36/30/1031273630.db2.gz YKQIFCFSTICXEN-QWRGUYRKSA-N -1 3 309.435 3.676 20 30 DHEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc(Cl)c2C#N)n1 ZINC000360946217 1031634588 /nfs/dbraw/zinc/63/45/88/1031634588.db2.gz LGELEWQVCRGKLS-SECBINFHSA-N -1 3 305.790 3.869 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](CC2CCC2)c2ccccc2)c1[O-] ZINC000777872975 1031693456 /nfs/dbraw/zinc/69/34/56/1031693456.db2.gz DMDHSICUCROXJJ-VVJWVBNBSA-N -1 3 324.424 3.938 20 30 DHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H](F)c1ccccc1 ZINC000845843344 1031739477 /nfs/dbraw/zinc/73/94/77/1031739477.db2.gz CILDONAEPZGYSG-IAGOWNOFSA-N -1 3 321.351 3.707 20 30 DHEDHM N#CC(C(=O)[C@H](F)c1ccccc1)=C([O-])C1(c2ccccc2)CC1 ZINC000845843344 1031739491 /nfs/dbraw/zinc/73/94/91/1031739491.db2.gz CILDONAEPZGYSG-IAGOWNOFSA-N -1 3 321.351 3.707 20 30 DHEDHM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195354 1031782588 /nfs/dbraw/zinc/78/25/88/1031782588.db2.gz ZTKGMXCZFAXSKL-AAEUAGOBSA-N -1 3 321.384 3.529 20 30 DHEDHM N#CC(=C([O-])c1cccc2nccnc21)c1nccc2ccccc21 ZINC000361531055 1031974277 /nfs/dbraw/zinc/97/42/77/1031974277.db2.gz OGABBGZWXGGRHP-INIZCTEOSA-N -1 3 324.343 3.668 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000846549828 1031997031 /nfs/dbraw/zinc/99/70/31/1031997031.db2.gz ZVDFEYYCOHBHSC-XFWYZCMDSA-N -1 3 317.351 3.758 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000846538592 1032003151 /nfs/dbraw/zinc/00/31/51/1032003151.db2.gz VWLDICUMXDGBTM-UHFFFAOYSA-N -1 3 320.776 3.552 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc2ccccc2s1 ZINC000041498852 1033322670 /nfs/dbraw/zinc/32/26/70/1033322670.db2.gz HJGASYCTKUVHMJ-ZDUSSCGKSA-N -1 3 320.373 3.721 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc2ccccc2s1 ZINC000041498856 1033323737 /nfs/dbraw/zinc/32/37/37/1033323737.db2.gz HJGASYCTKUVHMJ-CYBMUJFWSA-N -1 3 320.373 3.721 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2ccc(C(F)(F)F)cn2)c1F ZINC000794465381 1033956359 /nfs/dbraw/zinc/95/63/59/1033956359.db2.gz TUHIGHQXRLOEDQ-UHFFFAOYSA-N -1 3 317.217 3.530 20 30 DHEDHM CC(=[NH+][N-]c1cccc(C)n1)c1ccc(N2CCCC2)cc1[O-] ZINC000863160316 1034007775 /nfs/dbraw/zinc/00/77/75/1034007775.db2.gz YWMAIENTEGWAHN-UHFFFAOYSA-N -1 3 310.401 3.532 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCc3ccc(C(C)C)cc32)c1[O-] ZINC000777402550 1034446107 /nfs/dbraw/zinc/44/61/07/1034446107.db2.gz KPXMWQDEBLPMAI-QSLAWHRQSA-N -1 3 324.424 3.818 20 30 DHEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)oc1CC ZINC000128723156 1034500032 /nfs/dbraw/zinc/50/00/32/1034500032.db2.gz QVOORSZVWVLDNU-OAHLLOKOSA-N -1 3 324.380 3.674 20 30 DHEDHM Cc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C(C)C ZINC000899350451 1034597352 /nfs/dbraw/zinc/59/73/52/1034597352.db2.gz ZIOLLZTWHBZXHB-ZDUSSCGKSA-N -1 3 309.291 3.572 20 30 DHEDHM COCCC[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171448 1035380910 /nfs/dbraw/zinc/38/09/10/1035380910.db2.gz NUFKNCXLHQIWKQ-CQSZACIVSA-N -1 3 301.386 3.620 20 30 DHEDHM O=C(CC[C@H]1CC1(Cl)Cl)N([O-])Cc1ccc(F)cc1 ZINC000904177976 1035381889 /nfs/dbraw/zinc/38/18/89/1035381889.db2.gz VIGFQCDOPNFYET-JTQLQIEISA-N -1 3 306.164 3.518 20 30 DHEDHM CC[C@@H]1C[C@H](CC(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191115 1035383538 /nfs/dbraw/zinc/38/35/38/1035383538.db2.gz UEMQBTSSHUZKDV-TZMCWYRMSA-N -1 3 311.809 3.653 20 30 DHEDHM CCCc1nc(C)c(C(=O)N([O-])Cc2ccccc2Cl)o1 ZINC000904193700 1035383601 /nfs/dbraw/zinc/38/36/01/1035383601.db2.gz VMADHSORPOFIFG-UHFFFAOYSA-N -1 3 308.765 3.621 20 30 DHEDHM C=CCCC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905726767 1035629028 /nfs/dbraw/zinc/62/90/28/1035629028.db2.gz YJQISIYVKGSCPX-SFHVURJKSA-N -1 3 310.397 3.967 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001180280548 1035644662 /nfs/dbraw/zinc/64/46/62/1035644662.db2.gz KSILAICEPWKGSG-UHFFFAOYSA-N -1 3 303.352 3.901 20 30 DHEDHM C=CCOc1cc(C)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205072894 1035690823 /nfs/dbraw/zinc/69/08/23/1035690823.db2.gz AAZJHBMVGOGKNF-UHFFFAOYSA-N -1 3 310.275 3.741 20 30 DHEDHM N#C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC2CCC1CC2 ZINC000907092884 1036146965 /nfs/dbraw/zinc/14/69/65/1036146965.db2.gz NSYJBSZDQJBWRB-PRDDCLIZSA-N -1 3 304.777 3.704 20 30 DHEDHM Cc1cc(F)ccc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001196122580 1036455364 /nfs/dbraw/zinc/45/53/64/1036455364.db2.gz MCIORZNUPIMQOE-UHFFFAOYSA-N -1 3 301.346 3.520 20 30 DHEDHM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000645953934 1036625654 /nfs/dbraw/zinc/62/56/54/1036625654.db2.gz KSKQSPUWHHUCMN-ZDUSSCGKSA-N -1 3 318.380 3.745 20 30 DHEDHM O=C(c1cccc(F)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235109 1036783918 /nfs/dbraw/zinc/78/39/18/1036783918.db2.gz HXNFDXHUCLAFHR-UHFFFAOYSA-N -1 3 315.131 3.559 20 30 DHEDHM O=C(c1cncc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001184283091 1036803047 /nfs/dbraw/zinc/80/30/47/1036803047.db2.gz CLEREOFNJWKBQI-UHFFFAOYSA-N -1 3 312.756 3.920 20 30 DHEDHM O=C(C1C[C@H]2CC[C@@H](C1)S2)N([O-])CCCCc1ccccc1 ZINC001184293248 1036805848 /nfs/dbraw/zinc/80/58/48/1036805848.db2.gz LMLQPCUNPMOZRA-ALOPSCKCSA-N -1 3 319.470 3.901 20 30 DHEDHM COCC(C)(C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339949 1036816814 /nfs/dbraw/zinc/81/68/14/1036816814.db2.gz IQNUJIPGFNNHMC-UHFFFAOYSA-N -1 3 301.386 3.620 20 30 DHEDHM Cc1cc(F)cc(NC(=S)Nc2cccc(C#N)c2)c1[O-] ZINC001197714647 1036850785 /nfs/dbraw/zinc/85/07/85/1036850785.db2.gz GDKKBOWZYVWDAJ-UHFFFAOYSA-N -1 3 301.346 3.520 20 30 DHEDHM C=CCn1cccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000488211642 1036907151 /nfs/dbraw/zinc/90/71/51/1036907151.db2.gz AVVMCAMMRVQZDB-LBPRGKRZSA-N -1 3 307.378 3.774 20 30 DHEDHM N#Cc1cc(NC(=S)Nc2cccc(Cl)c2)ccc1[O-] ZINC001201103403 1037527361 /nfs/dbraw/zinc/52/73/61/1037527361.db2.gz WYQLUBLNZRZNAW-UHFFFAOYSA-N -1 3 303.774 3.726 20 30 DHEDHM CC(=NN=c1[nH]c2ccccc2s1)c1cc(F)ccc1[O-] ZINC000916581077 1037794027 /nfs/dbraw/zinc/79/40/27/1037794027.db2.gz DVYWMHHPTWTVTR-UHFFFAOYSA-N -1 3 301.346 3.977 20 30 DHEDHM CNc1ccc(C#N)cc1NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188181086 1037837967 /nfs/dbraw/zinc/83/79/67/1037837967.db2.gz HFJLNGNSCCNKMX-UHFFFAOYSA-N -1 3 323.396 3.990 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2c(F)cccc2F)c1C#N ZINC001202032749 1038009708 /nfs/dbraw/zinc/00/97/08/1038009708.db2.gz BWSCJCZUKXRPNK-UHFFFAOYSA-N -1 3 320.299 3.766 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000916880484 1038021958 /nfs/dbraw/zinc/02/19/58/1038021958.db2.gz SWSZVKWHHSHZTD-HPFMTEOYSA-N -1 3 319.408 3.908 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C)o1 ZINC000916906797 1038042027 /nfs/dbraw/zinc/04/20/27/1038042027.db2.gz UEEOTYIFRSVBGG-LBPRGKRZSA-N -1 3 316.744 3.511 20 30 DHEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC001192263461 1038617800 /nfs/dbraw/zinc/61/78/00/1038617800.db2.gz DABRVJJUWTZQSK-UHFFFAOYSA-N -1 3 324.380 3.822 20 30 DHEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001192914258 1038713649 /nfs/dbraw/zinc/71/36/49/1038713649.db2.gz QAJNPZZZDOKASX-UHFFFAOYSA-N -1 3 305.802 3.502 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1c(C)cccc1[O-] ZINC000599027740 1038992268 /nfs/dbraw/zinc/99/22/68/1038992268.db2.gz QTPKGBGWIWPJED-UHFFFAOYSA-N -1 3 308.381 3.625 20 30 DHEDHM CC(C)c1ccc(C(=O)N2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000594398957 1039769583 /nfs/dbraw/zinc/76/95/83/1039769583.db2.gz IGUGWVYBJKEGPV-UHFFFAOYSA-N -1 3 306.365 3.543 20 30 DHEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cocn3)sc2[C@H](C)C1 ZINC000297827724 132035921 /nfs/dbraw/zinc/03/59/21/132035921.db2.gz MMMRQKOAQUTOFK-RKDXNWHRSA-N -1 3 301.371 3.546 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)no1 ZINC000297907652 132040168 /nfs/dbraw/zinc/04/01/68/132040168.db2.gz RKBISMLCLOMXMN-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)s1 ZINC000130629483 196097267 /nfs/dbraw/zinc/09/72/67/196097267.db2.gz LXDJXGXDDRCOSS-ZDUSSCGKSA-N -1 3 309.394 3.742 20 30 DHEDHM CCCn1nc(C)c(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1C ZINC000160703285 332888330 /nfs/dbraw/zinc/88/83/30/332888330.db2.gz ONZGAWNIJGEDRN-VQHVLOKHSA-N -1 3 314.385 3.520 20 30 DHEDHM CCc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547146 332054263 /nfs/dbraw/zinc/05/42/63/332054263.db2.gz LMQDWNABSHOTBZ-UHFFFAOYSA-N -1 3 320.801 3.575 20 30 DHEDHM N#Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426811786 332157073 /nfs/dbraw/zinc/15/70/73/332157073.db2.gz OJUHEBHPRGNRBA-MRXNPFEDSA-N -1 3 314.772 3.517 20 30 DHEDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)cc1[O-] ZINC000180969204 332170418 /nfs/dbraw/zinc/17/04/18/332170418.db2.gz CIXNITLIJPCJMR-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM C=C[C@@H](CC(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1 ZINC000580238828 333038934 /nfs/dbraw/zinc/03/89/34/333038934.db2.gz XVEVZBSWLRUKJL-AWEZNQCLSA-N -1 3 309.365 3.893 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C3CCC3)cc2)nc(C)n1 ZINC000565397523 333468881 /nfs/dbraw/zinc/46/88/81/333468881.db2.gz AFHGLEQCVIVSSU-QGZVFWFLSA-N -1 3 305.381 3.851 20 30 DHEDHM C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186266469 335157065 /nfs/dbraw/zinc/15/70/65/335157065.db2.gz AGDBONXEVDPLFE-CQSZACIVSA-N -1 3 320.392 3.737 20 30 DHEDHM CC(C)(C#N)c1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000281106033 334123033 /nfs/dbraw/zinc/12/30/33/334123033.db2.gz HDXHABFAEQRLDT-UHFFFAOYSA-N -1 3 320.392 3.786 20 30 DHEDHM N#CCCSc1ccccc1[N-]C(=O)c1ocnc1C1CC1 ZINC000289513418 334165904 /nfs/dbraw/zinc/16/59/04/334165904.db2.gz ASBQCCUOXGDZTF-UHFFFAOYSA-N -1 3 313.382 3.810 20 30 DHEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1Cl ZINC000340327850 334170055 /nfs/dbraw/zinc/17/00/55/334170055.db2.gz XZPKXKXQGVBWOQ-AWEZNQCLSA-N -1 3 321.163 3.694 20 30 DHEDHM N#CCCSc1ccccc1[N-]C(=O)c1ncoc1C1CC1 ZINC000293542068 334198981 /nfs/dbraw/zinc/19/89/81/334198981.db2.gz XVQXWOKUHJDJFM-UHFFFAOYSA-N -1 3 313.382 3.810 20 30 DHEDHM CCc1ccc([O-])c(C(=O)NC(C)(C)c2c(C)noc2C)c1 ZINC000330681060 334799469 /nfs/dbraw/zinc/79/94/69/334799469.db2.gz ZMOXPFHQPAFAFS-UHFFFAOYSA-N -1 3 302.374 3.799 20 30 DHEDHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000330811520 334812860 /nfs/dbraw/zinc/81/28/60/334812860.db2.gz KRRKCELCCFBUIP-UHFFFAOYSA-N -1 3 305.403 3.794 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(C)c(F)c(C)c3)nc1-2 ZINC000344225725 335230130 /nfs/dbraw/zinc/23/01/30/335230130.db2.gz IKABHQGKHPUFEI-CYBMUJFWSA-N -1 3 322.343 3.512 20 30 DHEDHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329769952 336079877 /nfs/dbraw/zinc/07/98/77/336079877.db2.gz IHIZRYZNMGCBQG-MELADBBJSA-N -1 3 306.381 3.504 20 30 DHEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000329971771 336101667 /nfs/dbraw/zinc/10/16/67/336101667.db2.gz YQSGLHYPIVPJMN-SNVBAGLBSA-N -1 3 302.399 3.793 20 30 DHEDHM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1Cl ZINC000532726022 336268593 /nfs/dbraw/zinc/26/85/93/336268593.db2.gz IXFHIGBWANOJPC-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM COc1cccc(-c2noc([N-][C@H](C)c3ccc(C#N)cc3)n2)c1 ZINC000301353235 336302060 /nfs/dbraw/zinc/30/20/60/336302060.db2.gz KZKIPTWWCFBIDA-GFCCVEGCSA-N -1 3 320.352 3.790 20 30 DHEDHM N#Cc1cc(Sc2ccc([O-])cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000302705805 336365775 /nfs/dbraw/zinc/36/57/75/336365775.db2.gz YIWMDAMBCRUJKW-UHFFFAOYSA-N -1 3 323.333 3.871 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000354940226 336488434 /nfs/dbraw/zinc/48/84/34/336488434.db2.gz ZQBBJIDQKFYKMS-QGZVFWFLSA-N -1 3 308.381 3.729 20 30 DHEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc(Cl)cn2C)n1 ZINC000177747967 337157312 /nfs/dbraw/zinc/15/73/12/337157312.db2.gz MHMRYOBQGLVYPF-SNVBAGLBSA-N -1 3 307.806 3.748 20 30 DHEDHM N#CC(=C([O-])c1ccc2ncccc2c1)c1cnc2ccccc2n1 ZINC000190885273 337290474 /nfs/dbraw/zinc/29/04/74/337290474.db2.gz DAKALEAFLMPLGT-OAHLLOKOSA-N -1 3 324.343 3.668 20 30 DHEDHM N#CCCC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000583753646 337329853 /nfs/dbraw/zinc/32/98/53/337329853.db2.gz ANQFJVCQFMNKNP-UHFFFAOYSA-N -1 3 323.234 3.670 20 30 DHEDHM C=CC1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000515490834 337990725 /nfs/dbraw/zinc/99/07/25/337990725.db2.gz UJGKADKCODXBDK-AWEZNQCLSA-N -1 3 313.319 3.729 20 30 DHEDHM CCCc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429584946 338085271 /nfs/dbraw/zinc/08/52/71/338085271.db2.gz HOJLMMZTBRJSOE-OAHLLOKOSA-N -1 3 318.380 3.709 20 30 DHEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436536255 338275961 /nfs/dbraw/zinc/27/59/61/338275961.db2.gz AOUZWBWOVYBGNI-UHFFFAOYSA-N -1 3 309.409 3.880 20 30 DHEDHM C=CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000436762616 338286138 /nfs/dbraw/zinc/28/61/38/338286138.db2.gz CXYODPSECXMWNH-UHFFFAOYSA-N -1 3 309.365 3.975 20 30 DHEDHM N#Cc1ccc(SCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767110 338286322 /nfs/dbraw/zinc/28/63/22/338286322.db2.gz FIRMOSPYFRGQIS-UHFFFAOYSA-N -1 3 309.350 3.606 20 30 DHEDHM CN(CC(C)(C)C#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436986186 338296879 /nfs/dbraw/zinc/29/68/79/338296879.db2.gz QJJFLLYYJBKYEA-UHFFFAOYSA-N -1 3 324.380 3.806 20 30 DHEDHM N#CCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471621336 339349805 /nfs/dbraw/zinc/34/98/05/339349805.db2.gz NNMZNTMNSHKZSQ-UHFFFAOYSA-N -1 3 302.333 3.864 20 30 DHEDHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1cccc(C#N)c1 ZINC000487197551 339745999 /nfs/dbraw/zinc/74/59/99/339745999.db2.gz FLJODDJPPKCIPT-KGLIPLIRSA-N -1 3 320.392 3.908 20 30 DHEDHM N#CCCn1cc(/C=C/C(=O)[N-]OC2CCCC2)c2ccccc21 ZINC000492367188 339898847 /nfs/dbraw/zinc/89/88/47/339898847.db2.gz PBKAUZQYBAZPMH-ZHACJKMWSA-N -1 3 323.396 3.559 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)CNc2cccc(C#N)c2)c([O-])c1 ZINC000506233120 340189354 /nfs/dbraw/zinc/18/93/54/340189354.db2.gz SXEOEIFOJZKONZ-UHFFFAOYSA-N -1 3 323.396 3.612 20 30 DHEDHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000124611554 340800022 /nfs/dbraw/zinc/80/00/22/340800022.db2.gz IGZISUDYXMVOPZ-CQSZACIVSA-N -1 3 308.381 3.796 20 30 DHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000546764296 341181764 /nfs/dbraw/zinc/18/17/64/341181764.db2.gz DGVDQXZPBOBLCY-JTQLQIEISA-N -1 3 308.230 3.626 20 30 DHEDHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000135378915 341238167 /nfs/dbraw/zinc/23/81/67/341238167.db2.gz KWZRIPAYURRTRL-UHFFFAOYSA-N -1 3 318.373 3.622 20 30 DHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3cncn3c2)s1 ZINC000551483696 341342695 /nfs/dbraw/zinc/34/26/95/341342695.db2.gz UGMLGBOARXSNLK-ZDUSSCGKSA-N -1 3 324.409 3.578 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000827718736 600762132 /nfs/dbraw/zinc/76/21/32/600762132.db2.gz XDHTVAAGEGAHCH-BDJLRTHQSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000827716764 601297367 /nfs/dbraw/zinc/29/73/67/601297367.db2.gz AUSDMTYKVBYCIH-MEDUHNTESA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2)C(=O)c2ccccc21 ZINC000824857523 607680853 /nfs/dbraw/zinc/68/08/53/607680853.db2.gz DHZOQHVLNNUGJM-PKVLTRFUSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2)C(=O)c2ccccc21 ZINC000824857523 607680855 /nfs/dbraw/zinc/68/08/55/607680855.db2.gz DHZOQHVLNNUGJM-PKVLTRFUSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2ccc(-c3nnn[n-]3)s2)C(=O)c2ccccc21 ZINC000824858256 607681182 /nfs/dbraw/zinc/68/11/82/607681182.db2.gz IOUBBKLXFPOKBD-QLWWJYNRSA-N -1 3 322.393 3.702 20 30 DHEDHM CC(C)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820187653 606303481 /nfs/dbraw/zinc/30/34/81/606303481.db2.gz LBADLDRCADNYAE-BQYQJAHWSA-N -1 3 324.409 3.948 20 30 DHEDHM CC(C)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820187653 606303483 /nfs/dbraw/zinc/30/34/83/606303483.db2.gz LBADLDRCADNYAE-BQYQJAHWSA-N -1 3 324.409 3.948 20 30 DHEDHM CC(C)(C#N)CCCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824059047 946573016 /nfs/dbraw/zinc/57/30/16/946573016.db2.gz LMRCOZBQSDFMIN-UHFFFAOYSA-N -1 3 321.837 3.942 20 30 DHEDHM CC(C)(C#N)CCCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000824059047 946573025 /nfs/dbraw/zinc/57/30/25/946573025.db2.gz LMRCOZBQSDFMIN-UHFFFAOYSA-N -1 3 321.837 3.942 20 30 DHEDHM C=C[C@@H](CC)CC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001573315755 947257879 /nfs/dbraw/zinc/25/78/79/947257879.db2.gz OUQKQOTXYMTMRW-LBPRGKRZSA-N -1 3 321.384 3.561 20 30 DHEDHM C=C[C@@H](CC)CC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001573315755 947257891 /nfs/dbraw/zinc/25/78/91/947257891.db2.gz OUQKQOTXYMTMRW-LBPRGKRZSA-N -1 3 321.384 3.561 20 30 DHEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001211846379 1013161853 /nfs/dbraw/zinc/16/18/53/1013161853.db2.gz VBKSFTWWDCGION-UHFFFAOYSA-N -1 3 322.257 3.792 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)ccc1[O-] ZINC000728231979 1013271339 /nfs/dbraw/zinc/27/13/39/1013271339.db2.gz PGHLIJUUHMRYQV-DUXPYHPUSA-N -1 3 316.740 3.979 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001573369439 963097537 /nfs/dbraw/zinc/09/75/37/963097537.db2.gz ZQEKJQYJAXJALI-KHPPLWFESA-N -1 3 311.381 3.608 20 30 DHEDHM C=CCCC1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCC1 ZINC000617418823 1013454833 /nfs/dbraw/zinc/45/48/33/1013454833.db2.gz JJVIHZCZHLLCBX-UHFFFAOYSA-N -1 3 305.393 3.717 20 30 DHEDHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1coc(C2CCCCC2)n1 ZINC000328781347 1013798447 /nfs/dbraw/zinc/79/84/47/1013798447.db2.gz USXBESVJZIDWSR-UHFFFAOYSA-N -1 3 315.377 3.744 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cccc(OC3CCCC3)c2)c1O ZINC000255138346 1013905400 /nfs/dbraw/zinc/90/54/00/1013905400.db2.gz UFKCCJHENALUFT-UHFFFAOYSA-N -1 3 313.353 3.875 20 30 DHEDHM CC#Cc1cncc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001211061511 1014124434 /nfs/dbraw/zinc/12/44/34/1014124434.db2.gz BVAYRLHUCNUYQF-UHFFFAOYSA-N -1 3 321.149 3.804 20 30 DHEDHM CC(C)(C#N)CCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001589553934 987296122 /nfs/dbraw/zinc/29/61/22/987296122.db2.gz OZLMETFLEZHQKJ-UHFFFAOYSA-N -1 3 318.392 3.602 20 30 DHEDHM Cc1c(N=Cc2ccc(O)c([O-])c2O)cccc1C(F)(F)F ZINC000255405800 1015749552 /nfs/dbraw/zinc/74/95/52/1015749552.db2.gz WCHXNYPAYKMOGQ-UHFFFAOYSA-N -1 3 311.259 3.881 20 30 DHEDHM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc([O-])c(F)c1 ZINC000728427331 1016072944 /nfs/dbraw/zinc/07/29/44/1016072944.db2.gz NPSYZHCZFXOHGL-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM CC(C)c1cc(C(=O)[N-]c2c(C#N)cccc2C(F)(F)F)no1 ZINC001147486472 1032318438 /nfs/dbraw/zinc/31/84/38/1032318438.db2.gz FPHCFWZKHHAPLK-UHFFFAOYSA-N -1 3 323.274 3.941 20 30 DHEDHM Cc1ccc(SCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000078868598 1012046599 /nfs/dbraw/zinc/04/65/99/1012046599.db2.gz YZSLAEGBHTYQNK-UHFFFAOYSA-N -1 3 314.370 3.753 20 30 DHEDHM C=CC[C@@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CCCC1(C)C ZINC000445133034 1017774304 /nfs/dbraw/zinc/77/43/04/1017774304.db2.gz HRBRYCZAPVCSRJ-INIZCTEOSA-N -1 3 320.408 3.808 20 30 DHEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1ccc2ccccc2n1 ZINC000674895030 1018187374 /nfs/dbraw/zinc/18/73/74/1018187374.db2.gz WCEOWYXFFVYKCK-INIZCTEOSA-N -1 3 313.360 3.997 20 30 DHEDHM CC(=NNCc1cnc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000764778649 1018377716 /nfs/dbraw/zinc/37/77/16/1018377716.db2.gz KTHCMCCTVITLGV-UHFFFAOYSA-N -1 3 309.344 3.593 20 30 DHEDHM C[C@H](C(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F ZINC000447707711 1018461365 /nfs/dbraw/zinc/46/13/65/1018461365.db2.gz PBDWEGDIWOPRPM-MLUIRONXSA-N -1 3 317.204 3.586 20 30 DHEDHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000052513058 1018621455 /nfs/dbraw/zinc/62/14/55/1018621455.db2.gz GZPNBPNYQZEIJE-UHFFFAOYSA-N -1 3 308.381 3.659 20 30 DHEDHM C=CCCC(C)(C)NC(=O)c1cc([O-])cc(Br)c1 ZINC000628156514 1018887851 /nfs/dbraw/zinc/88/78/51/1018887851.db2.gz RMNPRVTZSRZDTC-UHFFFAOYSA-N -1 3 312.207 3.629 20 30 DHEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc2ccccc2c1 ZINC000073973433 1019314156 /nfs/dbraw/zinc/31/41/56/1019314156.db2.gz PDALUTCCRUMWOW-UHFFFAOYSA-N -1 3 304.309 3.854 20 30 DHEDHM CN(C)C(=O)c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000255759519 1019586994 /nfs/dbraw/zinc/58/69/94/1019586994.db2.gz LYJJDNNFSROKAA-UHFFFAOYSA-N -1 3 320.751 3.637 20 30 DHEDHM C=C(CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000673342079 1019795008 /nfs/dbraw/zinc/79/50/08/1019795008.db2.gz KDNOCHRRNUVGQD-UHFFFAOYSA-N -1 3 313.372 3.684 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000190942036 1020099179 /nfs/dbraw/zinc/09/91/79/1020099179.db2.gz NNTNDLFTIWCZFA-OAHLLOKOSA-N -1 3 301.349 3.737 20 30 DHEDHM CC(=NNc1ccc(Br)nc1)c1ccc([O-])c(F)c1 ZINC000732713268 1020269195 /nfs/dbraw/zinc/26/91/95/1020269195.db2.gz VHORZNUUHXVIJM-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c([O-])c1 ZINC000091990234 1020481333 /nfs/dbraw/zinc/48/13/33/1020481333.db2.gz USEFUOWVMGKWTJ-MSOLQXFVSA-N -1 3 320.392 3.613 20 30 DHEDHM CCSCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000741466086 1021009510 /nfs/dbraw/zinc/00/95/10/1021009510.db2.gz DEBSATSNVRXBQY-UHFFFAOYSA-N -1 3 303.383 3.807 20 30 DHEDHM COc1ccc2c(c1)OCC[C@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000741758281 1021045631 /nfs/dbraw/zinc/04/56/31/1021045631.db2.gz SJXLHPZTBFMYRS-SMLKNPDNSA-N -1 3 317.772 3.997 20 30 DHEDHM CS[C@@H]1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000743042416 1021205353 /nfs/dbraw/zinc/20/53/53/1021205353.db2.gz KJXNYPVOVIQHCM-QPVXSDEHSA-N -1 3 314.248 3.858 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C3CCCCC3)n[n-]2)o1 ZINC000776375393 1021322379 /nfs/dbraw/zinc/32/23/79/1021322379.db2.gz FCEXGWFTUAEPIN-INIZCTEOSA-N -1 3 313.357 3.607 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C3CCCCC3)[n-]n2)o1 ZINC000776375393 1021322397 /nfs/dbraw/zinc/32/23/97/1021322397.db2.gz FCEXGWFTUAEPIN-INIZCTEOSA-N -1 3 313.357 3.607 20 30 DHEDHM CC(C)c1ccc2c(c1)C(=N[N-]c1ccc(Cl)nn1)C(=O)N2 ZINC000024036955 1021697427 /nfs/dbraw/zinc/69/74/27/1021697427.db2.gz LCDVAQSUUXSOQA-UHFFFAOYSA-N -1 3 315.764 3.671 20 30 DHEDHM N#Cc1c2c(sc1[N-]C(=O)c1cnc(C3CC3)o1)CCCC2 ZINC000887632730 1033020132 /nfs/dbraw/zinc/02/01/32/1033020132.db2.gz ZFOQQTALYZLUKZ-UHFFFAOYSA-N -1 3 313.382 3.616 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cccc(N3CCCCC3)c2)c1O ZINC000920173664 1022075555 /nfs/dbraw/zinc/07/55/55/1022075555.db2.gz DQVAQNNZWIGBLH-UHFFFAOYSA-N -1 3 312.369 3.544 20 30 DHEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000175101262 1022291940 /nfs/dbraw/zinc/29/19/40/1022291940.db2.gz LMBLDXJSLIQEGB-ZDUSSCGKSA-N -1 3 316.744 3.511 20 30 DHEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000175101248 1022292591 /nfs/dbraw/zinc/29/25/91/1022292591.db2.gz LMBLDXJSLIQEGB-CYBMUJFWSA-N -1 3 316.744 3.511 20 30 DHEDHM Cc1ccnc(C#N)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168525593 1022538796 /nfs/dbraw/zinc/53/87/96/1022538796.db2.gz HATXBKFWKZBKOY-UHFFFAOYSA-N -1 3 324.771 3.781 20 30 DHEDHM C=CCCO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000856031408 1022741249 /nfs/dbraw/zinc/74/12/49/1022741249.db2.gz OKXPRRJPVOTPME-UHFFFAOYSA-N -1 3 303.402 3.565 20 30 DHEDHM N#CC1(c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000180780631 1022816437 /nfs/dbraw/zinc/81/64/37/1022816437.db2.gz OXDMKPNSZJKPBQ-UHFFFAOYSA-N -1 3 312.756 3.853 20 30 DHEDHM CC(C)CN(CCC#N)Cc1cccc(Br)c1[O-] ZINC000768153421 1022904019 /nfs/dbraw/zinc/90/40/19/1022904019.db2.gz GABIDFSQVOIZAH-UHFFFAOYSA-N -1 3 311.223 3.526 20 30 DHEDHM CCC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc([O-])c(F)c1 ZINC000768382035 1022961667 /nfs/dbraw/zinc/96/16/67/1022961667.db2.gz PFOCUDXNUPBSON-UHFFFAOYSA-N -1 3 318.739 3.678 20 30 DHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000089495623 1023085584 /nfs/dbraw/zinc/08/55/84/1023085584.db2.gz AKJKAEKJCXTCNQ-UHFFFAOYSA-N -1 3 320.867 3.542 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc2nccn21 ZINC000769608263 1023187551 /nfs/dbraw/zinc/18/75/51/1023187551.db2.gz QYGIKCONNLGITP-QSARLWQPSA-N -1 3 308.312 3.562 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCN(c2nccs2)CC1 ZINC000798343890 1023387833 /nfs/dbraw/zinc/38/78/33/1023387833.db2.gz TYCIWFCNNUIIJI-VCHYOVAHSA-N -1 3 321.833 3.590 20 30 DHEDHM C=CCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000771835621 1023472267 /nfs/dbraw/zinc/47/22/67/1023472267.db2.gz AGWWCTMTPKBTAE-AGKWGAAGSA-N -1 3 310.397 3.714 20 30 DHEDHM N#C[C@]1(F)CCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000786106611 1023660719 /nfs/dbraw/zinc/66/07/19/1023660719.db2.gz JAUNPVZJYPAJSW-GOSISDBHSA-N -1 3 310.328 3.729 20 30 DHEDHM C=CCCC[C@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000367752571 1023833784 /nfs/dbraw/zinc/83/37/84/1023833784.db2.gz XISPPTAGNJOBCN-ZDUSSCGKSA-N -1 3 312.417 3.963 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000213219849 1024149911 /nfs/dbraw/zinc/14/99/11/1024149911.db2.gz DOYOGZJMWYNKIS-RILYUOAZSA-N -1 3 313.284 3.823 20 30 DHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1nc(C)ccc1[O-] ZINC000349613759 1024732498 /nfs/dbraw/zinc/73/24/98/1024732498.db2.gz GLUXMEYYBHJTCL-UHFFFAOYSA-N -1 3 308.834 3.999 20 30 DHEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Cl)cc1 ZINC001129602846 1025344079 /nfs/dbraw/zinc/34/40/79/1025344079.db2.gz XHWGKWRXPAFVOW-OAHLLOKOSA-N -1 3 319.738 3.923 20 30 DHEDHM N#CC(=C([O-])c1cccc(OC2CCCCC2)c1)c1ccncn1 ZINC000354454921 1025435465 /nfs/dbraw/zinc/43/54/65/1025435465.db2.gz ASZMOAOAMHFFAF-QGZVFWFLSA-N -1 3 321.380 3.678 20 30 DHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c(C)c1OC ZINC000806571718 1025927945 /nfs/dbraw/zinc/92/79/45/1025927945.db2.gz MWWGEWDIZWMVTI-WEVVVXLNSA-N -1 3 312.365 3.922 20 30 DHEDHM N#Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000563694765 1028169139 /nfs/dbraw/zinc/16/91/39/1028169139.db2.gz TYSVJDZXOJBCJL-UHFFFAOYSA-N -1 3 315.373 3.504 20 30 DHEDHM [O-]c1ccc2c(c1F)CCC2=NNc1ccc(F)c(F)c1F ZINC000814944931 1028303548 /nfs/dbraw/zinc/30/35/48/1028303548.db2.gz CZEIBECTLKJMNF-UHFFFAOYSA-N -1 3 310.250 3.711 20 30 DHEDHM N#CCCN(C(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000564107172 1028307467 /nfs/dbraw/zinc/30/74/67/1028307467.db2.gz SWMBKBNUWVZQRH-UHFFFAOYSA-N -1 3 318.735 3.745 20 30 DHEDHM CCOc1ccc(NN=Cc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000814984066 1028320398 /nfs/dbraw/zinc/32/03/98/1028320398.db2.gz SPSMSMPJSCVCGV-UHFFFAOYSA-N -1 3 320.776 3.899 20 30 DHEDHM C=CCN(Cc1cccs1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000748046499 1028740178 /nfs/dbraw/zinc/74/01/78/1028740178.db2.gz HZJUOSZOVXYHNI-UHFFFAOYSA-N -1 3 319.401 3.984 20 30 DHEDHM C#C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1 ZINC000816617181 1028966222 /nfs/dbraw/zinc/96/62/22/1028966222.db2.gz QFYDMQMEZMZXGL-HNNXBMFYSA-N -1 3 307.727 3.788 20 30 DHEDHM CCc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000191001632 1029240036 /nfs/dbraw/zinc/24/00/36/1029240036.db2.gz GKFFXUKMQCEASH-OAHLLOKOSA-N -1 3 301.349 3.682 20 30 DHEDHM CCc1nc([C@H](C)N[C@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866265020 1030188237 /nfs/dbraw/zinc/18/82/37/1030188237.db2.gz WRZQPEMDZXJDQE-MNOVXSKESA-N -1 3 301.415 3.695 20 30 DHEDHM CC(C)c1csc(CN[C@@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866288183 1030206345 /nfs/dbraw/zinc/20/63/45/1030206345.db2.gz WPJYPEFJLNNHRW-NSHDSACASA-N -1 3 301.415 3.695 20 30 DHEDHM O=C1c2cc(O)ccc2CC/C1=C/c1c(F)ccc([O-])c1F ZINC000794960206 1030453086 /nfs/dbraw/zinc/45/30/86/1030453086.db2.gz OGRZEIYSQSVEHB-YFHOEESVSA-N -1 3 302.276 3.589 20 30 DHEDHM CC[C@H](NCc1ccc(C)nc1Cl)c1cccc(C#N)c1[O-] ZINC000926852526 1030954655 /nfs/dbraw/zinc/95/46/55/1030954655.db2.gz YSBOHCOHPBHOMB-HNNXBMFYSA-N -1 3 315.804 3.862 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2ccccc2)s1 ZINC000844654366 1031271459 /nfs/dbraw/zinc/27/14/59/1031271459.db2.gz QNBXTCCFAPCNJM-LLVKDONJSA-N -1 3 317.414 3.670 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)-c1ccccc1C2)c1ccncn1 ZINC000760334543 1031667245 /nfs/dbraw/zinc/66/72/45/1031667245.db2.gz PLXYYTVPAMFGRS-GOSISDBHSA-N -1 3 311.344 3.538 20 30 DHEDHM Cc1ccc([C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)o1 ZINC000845840762 1031740324 /nfs/dbraw/zinc/74/03/24/1031740324.db2.gz FJLDKLQNUPUFPL-ZBFHGGJFSA-N -1 3 321.376 3.701 20 30 DHEDHM N#CCc1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361519426 1031967218 /nfs/dbraw/zinc/96/72/18/1031967218.db2.gz OAEPULCQSQZZMX-GOSISDBHSA-N -1 3 311.344 3.791 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000846756733 1032050102 /nfs/dbraw/zinc/05/01/02/1032050102.db2.gz LDJSFYVNLAXRJB-MLNSPDOJSA-N -1 3 321.726 3.965 20 30 DHEDHM C[C@@H](CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853962 1033513034 /nfs/dbraw/zinc/51/30/34/1033513034.db2.gz PQZIDPHBDAKWHD-WCQYABFASA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@@H](CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853962 1033513042 /nfs/dbraw/zinc/51/30/42/1033513042.db2.gz PQZIDPHBDAKWHD-WCQYABFASA-N -1 3 323.314 3.585 20 30 DHEDHM CC(C)CN(CCC#N)Cc1c([O-])cccc1Br ZINC000862212006 1033781466 /nfs/dbraw/zinc/78/14/66/1033781466.db2.gz DYSBQXAXDMZWKX-UHFFFAOYSA-N -1 3 311.223 3.526 20 30 DHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1 ZINC000128629455 1035050927 /nfs/dbraw/zinc/05/09/27/1035050927.db2.gz HBCRKDVDMXZJNC-MRXNPFEDSA-N -1 3 324.380 3.892 20 30 DHEDHM CC(C)(C)c1noc([N-]c2cnn(-c3ccccc3)c2)c1C#N ZINC001175792292 1035123832 /nfs/dbraw/zinc/12/38/32/1035123832.db2.gz GAUNYPBQVVAVCA-UHFFFAOYSA-N -1 3 307.357 3.773 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2ccc(OCc3ccccc3)nc2)c1 ZINC001176305174 1035248293 /nfs/dbraw/zinc/24/82/93/1035248293.db2.gz GVGLGPRKONFELT-UHFFFAOYSA-N -1 3 317.348 3.981 20 30 DHEDHM N#Cc1ncc(Br)cc1Nc1cc([O-])cc(Cl)c1 ZINC001176621839 1035302257 /nfs/dbraw/zinc/30/22/57/1035302257.db2.gz LCNQGBZTAKUOMR-UHFFFAOYSA-N -1 3 324.565 3.818 20 30 DHEDHM COCCC[C@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181029 1035378513 /nfs/dbraw/zinc/37/85/13/1035378513.db2.gz QYLPSXITMOEEPK-JTQLQIEISA-N -1 3 320.216 3.774 20 30 DHEDHM O=C(C[C@@H]1CCCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181791 1035378894 /nfs/dbraw/zinc/37/88/94/1035378894.db2.gz YFEROJUADVLQER-JTQLQIEISA-N -1 3 318.200 3.528 20 30 DHEDHM CCCCN([O-])C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000904208432 1035382480 /nfs/dbraw/zinc/38/24/80/1035382480.db2.gz ZFUPSKJPGGUCHX-UHFFFAOYSA-N -1 3 322.792 3.946 20 30 DHEDHM Cc1noc(C)c1C(C)(C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904193005 1035383356 /nfs/dbraw/zinc/38/33/56/1035383356.db2.gz IHEVMACLCSIWHJ-UHFFFAOYSA-N -1 3 322.792 3.640 20 30 DHEDHM CC(C)(C(=O)N([O-])Cc1ccccc1Cl)C1CCOCC1 ZINC000904192830 1035383586 /nfs/dbraw/zinc/38/35/86/1035383586.db2.gz CPYPGRAHIOSITA-UHFFFAOYSA-N -1 3 311.809 3.511 20 30 DHEDHM CCCCN([O-])C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000904211701 1035386732 /nfs/dbraw/zinc/38/67/32/1035386732.db2.gz AXGZUIXENRXCJJ-UHFFFAOYSA-N -1 3 322.405 3.594 20 30 DHEDHM C#Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(Cl)c1 ZINC001179655459 1035487231 /nfs/dbraw/zinc/48/72/31/1035487231.db2.gz GHBNBUOTIWSFDN-UHFFFAOYSA-N -1 3 306.148 3.933 20 30 DHEDHM COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001195465680 1036260807 /nfs/dbraw/zinc/26/08/07/1036260807.db2.gz JVRYLIFTCYFMIP-UHFFFAOYSA-N -1 3 324.380 3.822 20 30 DHEDHM CC#CCCCCCCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001182764447 1036436257 /nfs/dbraw/zinc/43/62/57/1036436257.db2.gz KLBLFRIWDYCNRU-UHFFFAOYSA-N -1 3 316.327 3.516 20 30 DHEDHM CC#CCCCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001182764447 1036436264 /nfs/dbraw/zinc/43/62/64/1036436264.db2.gz KLBLFRIWDYCNRU-UHFFFAOYSA-N -1 3 316.327 3.516 20 30 DHEDHM C#CCCc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000762005963 1036457136 /nfs/dbraw/zinc/45/71/36/1036457136.db2.gz DVOWZJOIYSYYJW-UHFFFAOYSA-N -1 3 320.348 3.587 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762436742 1036758661 /nfs/dbraw/zinc/75/86/61/1036758661.db2.gz QEWBVVXZWMCCBY-VDZHXTINSA-N -1 3 313.875 3.844 20 30 DHEDHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)N([O-])CCCCc1ccccc1 ZINC001184305401 1036792264 /nfs/dbraw/zinc/79/22/64/1036792264.db2.gz IEYFPPNFWFPAMZ-ZWKOTPCHSA-N -1 3 317.429 3.575 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC001184305770 1036794393 /nfs/dbraw/zinc/79/43/93/1036794393.db2.gz QGBLQOVMNAXTBS-ZBFHGGJFSA-N -1 3 321.417 3.605 20 30 DHEDHM O=C([C@H]1CSc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001184283801 1036803607 /nfs/dbraw/zinc/80/36/07/1036803607.db2.gz QSAFNIVDEBDMOZ-ZDUSSCGKSA-N -1 3 319.813 3.947 20 30 DHEDHM CO[C@H]1CCC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001184340911 1036818282 /nfs/dbraw/zinc/81/82/82/1036818282.db2.gz SXBCGVRNEYGTJL-RDJZCZTQSA-N -1 3 313.397 3.763 20 30 DHEDHM O=C(c1cnc2ccc(F)cc2c1)N([O-])Cc1ccc(F)cc1 ZINC001184348429 1036821684 /nfs/dbraw/zinc/82/16/84/1036821684.db2.gz OASXYICRMQURJK-UHFFFAOYSA-N -1 3 314.291 3.545 20 30 DHEDHM Cc1c(C)c(C)c(CC(=O)Nc2ccc([O-])c(C#N)c2)c(C)c1C ZINC001184421317 1036842068 /nfs/dbraw/zinc/84/20/68/1036842068.db2.gz FDOVJZKVRTWLII-UHFFFAOYSA-N -1 3 322.408 3.987 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC001197844411 1036877675 /nfs/dbraw/zinc/87/76/75/1036877675.db2.gz SQFIZYCERVVFQV-SNVBAGLBSA-N -1 3 321.377 3.501 20 30 DHEDHM CSc1ccc(NC(=S)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001201186794 1037560647 /nfs/dbraw/zinc/56/06/47/1037560647.db2.gz JHJXSNMNHVCUCP-UHFFFAOYSA-N -1 3 315.423 3.795 20 30 DHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C)c1 ZINC001201320159 1037606115 /nfs/dbraw/zinc/60/61/15/1037606115.db2.gz QLFOHFWSELXAJT-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM COc1ccc(Cl)cc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001187928887 1037755482 /nfs/dbraw/zinc/75/54/82/1037755482.db2.gz ZQVFHJPZENLORC-UHFFFAOYSA-N -1 3 317.732 3.570 20 30 DHEDHM CCCCCCCCS(=O)(=O)Nc1cc([O-])c(F)cc1F ZINC001188012593 1037783817 /nfs/dbraw/zinc/78/38/17/1037783817.db2.gz CWTCTHONIGGBEI-UHFFFAOYSA-N -1 3 321.389 3.773 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C)o1 ZINC000916904291 1038041501 /nfs/dbraw/zinc/04/15/01/1038041501.db2.gz ZSBWGJBRVDDTID-HNNXBMFYSA-N -1 3 324.380 3.674 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cccc2C(F)(F)F)CC1 ZINC001190762514 1038375160 /nfs/dbraw/zinc/37/51/60/1038375160.db2.gz KHBWMZVQGTUCBV-UHFFFAOYSA-N -1 3 323.311 3.695 20 30 DHEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192340907 1038632802 /nfs/dbraw/zinc/63/28/02/1038632802.db2.gz UAWYNRPGGVYJPP-GOSISDBHSA-N -1 3 302.418 3.748 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc3c(c2)CCCC3)c1[O-] ZINC000761015560 1039474217 /nfs/dbraw/zinc/47/42/17/1039474217.db2.gz NJZVRVOUOTXQIZ-YSRRJJCPSA-N -1 3 324.424 3.647 20 30 DHEDHM N#Cc1cc(-c2ccc(C3(C#N)CCOCC3)cc2)ccc1[O-] ZINC000593953463 1039656127 /nfs/dbraw/zinc/65/61/27/1039656127.db2.gz NCLXXAYNSYTBBC-UHFFFAOYSA-N -1 3 304.349 3.503 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2c(c1)ncn2C ZINC000761200275 1040579757 /nfs/dbraw/zinc/57/97/57/1040579757.db2.gz OLHFALPAJPQMKC-VPMLRQHESA-N -1 3 322.339 3.801 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000602231926 1040920360 /nfs/dbraw/zinc/92/03/60/1040920360.db2.gz SHGDKZWNGHIECP-VIFPVBQESA-N -1 3 315.398 3.547 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000602344842 1040972302 /nfs/dbraw/zinc/97/23/02/1040972302.db2.gz WZHSFQJBZDFCSW-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM CCC(CC)c1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000084060897 192397557 /nfs/dbraw/zinc/39/75/57/192397557.db2.gz PYNUVUHMDYHPBB-UHFFFAOYSA-N -1 3 306.416 3.627 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000417605732 335006195 /nfs/dbraw/zinc/00/61/95/335006195.db2.gz CCRXQWJWOISCFJ-SECBINFHSA-N -1 3 306.164 3.642 20 30 DHEDHM Cc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041555097 183202000 /nfs/dbraw/zinc/20/20/00/183202000.db2.gz YXFZEPMMEZQAFW-ZDUSSCGKSA-N -1 3 304.271 3.899 20 30 DHEDHM N#Cc1c2c(sc1[N-]C(=O)c1ocnc1C1CC1)CCCC2 ZINC000288237588 131317491 /nfs/dbraw/zinc/31/74/91/131317491.db2.gz WUWXRVFCGHOFFX-UHFFFAOYSA-N -1 3 313.382 3.616 20 30 DHEDHM C=CCCCS(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000291914111 335084876 /nfs/dbraw/zinc/08/48/76/335084876.db2.gz SWSAWIBDAQNSIN-UHFFFAOYSA-N -1 3 311.300 3.552 20 30 DHEDHM C=CC(C)(C)CCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000528075172 435019682 /nfs/dbraw/zinc/01/96/82/435019682.db2.gz QWBVKCDOIMTYTM-UHFFFAOYSA-N -1 3 312.417 3.821 20 30 DHEDHM CCOc1cc(/C=C\c2ccc(C#N)cn2)cc(Cl)c1[O-] ZINC000255392424 331738140 /nfs/dbraw/zinc/73/81/40/331738140.db2.gz JVXQCGOPKIQQLF-HYXAFXHYSA-N -1 3 300.745 3.881 20 30 DHEDHM C=CC[C@H](CC)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000410122213 332091010 /nfs/dbraw/zinc/09/10/10/332091010.db2.gz YRDYDQKVLZQAPQ-KRWDZBQOSA-N -1 3 323.392 3.708 20 30 DHEDHM C[C@@](C#N)(NC(=O)Cc1ccc([O-])cc1Cl)C1CCCCC1 ZINC000561555005 332463279 /nfs/dbraw/zinc/46/32/79/332463279.db2.gz LOKWMEAXFJMTND-KRWDZBQOSA-N -1 3 320.820 3.567 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cccc(OC(F)F)c1 ZINC000293590163 335109887 /nfs/dbraw/zinc/10/98/87/335109887.db2.gz ULLFSJFAXBCBIV-SECBINFHSA-N -1 3 305.271 3.677 20 30 DHEDHM N#CC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000177402753 333128659 /nfs/dbraw/zinc/12/86/59/333128659.db2.gz RQJBSPYUUSPVMW-UHFFFAOYSA-N -1 3 322.364 3.560 20 30 DHEDHM O=C1CCc2cc(/N=C/c3ccccc3[O-])ccc2N1CC1CC1 ZINC000186845996 333223777 /nfs/dbraw/zinc/22/37/77/333223777.db2.gz GJWOCTOSFWYQGF-CIAFOILYSA-N -1 3 320.392 3.832 20 30 DHEDHM N#CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000185391812 333369835 /nfs/dbraw/zinc/36/98/35/333369835.db2.gz JPNKKHQFOSJSEP-UHFFFAOYSA-N -1 3 309.350 3.521 20 30 DHEDHM Cc1nc(C(=O)Nc2cccc(C(C)(C)C)c2[O-])ccc1C#N ZINC000185867860 333371482 /nfs/dbraw/zinc/37/14/82/333371482.db2.gz FSPDSGXKAPWXJC-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM C#CCCCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000295974888 335139131 /nfs/dbraw/zinc/13/91/31/335139131.db2.gz IIZFXBIWEMWSBR-UHFFFAOYSA-N -1 3 310.191 3.595 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000264491877 333957094 /nfs/dbraw/zinc/95/70/94/333957094.db2.gz CJOVOOZJWNGKLR-SNVBAGLBSA-N -1 3 301.371 3.630 20 30 DHEDHM Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000271267528 334020672 /nfs/dbraw/zinc/02/06/72/334020672.db2.gz NTFWTAVEZNAMBV-UHFFFAOYSA-N -1 3 308.381 3.878 20 30 DHEDHM CCOC(CC/N=C/c1c([O-])ccc2ccccc21)OCC ZINC000276395970 334077072 /nfs/dbraw/zinc/07/70/72/334077072.db2.gz SVZSNCGVOAJOMB-CPNJWEJPSA-N -1 3 301.386 3.754 20 30 DHEDHM Cc1nsc([N-]C(=O)c2cc(F)c(F)cc2Cl)c1C#N ZINC000439295349 334172871 /nfs/dbraw/zinc/17/28/71/334172871.db2.gz NJFKLHKLWYVCDD-UHFFFAOYSA-N -1 3 313.716 3.507 20 30 DHEDHM CCc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1[O-] ZINC000292199509 334185425 /nfs/dbraw/zinc/18/54/25/334185425.db2.gz PFDIIVDSHOVLMZ-QGZVFWFLSA-N -1 3 308.381 3.729 20 30 DHEDHM N#CCN(C(=O)CCc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000294984983 334215184 /nfs/dbraw/zinc/21/51/84/334215184.db2.gz ODKLPGSEMNFMRD-UHFFFAOYSA-N -1 3 322.408 3.773 20 30 DHEDHM CCCOc1ccc(/C=N/[C@@H](C)COCC(F)(F)F)c([O-])c1 ZINC000299315941 334254601 /nfs/dbraw/zinc/25/46/01/334254601.db2.gz XNPNCHGPUIRSCQ-NPLBWUPPSA-N -1 3 319.323 3.567 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(C)c(F)c(C)c3)nc1-2 ZINC000344225726 335230155 /nfs/dbraw/zinc/23/01/55/335230155.db2.gz IKABHQGKHPUFEI-ZDUSSCGKSA-N -1 3 322.343 3.512 20 30 DHEDHM CC(C)CCN(CCC#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345411456 335324177 /nfs/dbraw/zinc/32/41/77/335324177.db2.gz KXTUIQUIDPOLMA-UHFFFAOYSA-N -1 3 320.408 3.642 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(C3CC3)nc2C)s1 ZINC000329502558 335985482 /nfs/dbraw/zinc/98/54/82/335985482.db2.gz HXSGKPPRKKOSQB-UHFFFAOYSA-N -1 3 301.371 3.992 20 30 DHEDHM CCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000192465522 336034855 /nfs/dbraw/zinc/03/48/55/336034855.db2.gz BBRKDSVQJJQGEA-CQSZACIVSA-N -1 3 308.381 3.796 20 30 DHEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCN1C1CC1 ZINC000330218147 336125563 /nfs/dbraw/zinc/12/55/63/336125563.db2.gz JBWOVJWKPPYPDK-LBPRGKRZSA-N -1 3 314.307 3.626 20 30 DHEDHM Cc1nsc([N-]C(=O)N2CC3(CCC3)c3ccccc32)c1C#N ZINC000333906413 336212090 /nfs/dbraw/zinc/21/20/90/336212090.db2.gz VFKZPLHRFRQNSM-UHFFFAOYSA-N -1 3 324.409 3.797 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(C(C)=O)s2)s1 ZINC000358025211 336607017 /nfs/dbraw/zinc/60/70/17/336607017.db2.gz MCWSQUWYLNQDOH-UHFFFAOYSA-N -1 3 304.396 3.699 20 30 DHEDHM CCc1onc(-c2ccccc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000361661407 336767721 /nfs/dbraw/zinc/76/77/21/336767721.db2.gz FLABLOVAAOIMQQ-CQSZACIVSA-N -1 3 317.348 3.789 20 30 DHEDHM Cc1cccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1[O-] ZINC000374296290 336986306 /nfs/dbraw/zinc/98/63/06/336986306.db2.gz OYIYQMDBSSIPLW-UHFFFAOYSA-N -1 3 318.376 3.502 20 30 DHEDHM CC(C)c1csc(C(C#N)=C([O-])c2cc(Cl)cn2C)n1 ZINC000177747952 337157180 /nfs/dbraw/zinc/15/71/80/337157180.db2.gz MHMRYOBQGLVYPF-JTQLQIEISA-N -1 3 307.806 3.748 20 30 DHEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(Cl)c1Cl ZINC000182407506 337188369 /nfs/dbraw/zinc/18/83/69/337188369.db2.gz FJGHQTVPIIUVMS-ZDUSSCGKSA-N -1 3 321.163 3.694 20 30 DHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cscn1 ZINC000066801209 337542911 /nfs/dbraw/zinc/54/29/11/337542911.db2.gz SBCFUXJIPCRREX-SNVBAGLBSA-N -1 3 303.412 3.790 20 30 DHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cscn1 ZINC000066801208 337542922 /nfs/dbraw/zinc/54/29/22/337542922.db2.gz SBCFUXJIPCRREX-JTQLQIEISA-N -1 3 303.412 3.790 20 30 DHEDHM CCOc1cc(-c2noc(-c3ccc(C#N)cc3C)n2)ccc1[O-] ZINC000445426618 337726964 /nfs/dbraw/zinc/72/69/64/337726964.db2.gz KQVFQAKBVRIMGX-UHFFFAOYSA-N -1 3 321.336 3.688 20 30 DHEDHM C=CCn1c(S[C@@H](C)CCSc2ccccc2)n[n-]c1=O ZINC000431240823 338126400 /nfs/dbraw/zinc/12/64/00/338126400.db2.gz ZKWYTEZLYZRNJC-LBPRGKRZSA-N -1 3 321.471 3.833 20 30 DHEDHM N#Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000432705517 338163576 /nfs/dbraw/zinc/16/35/76/338163576.db2.gz ISSMVASSDGTYKD-SDNWHVSQSA-N -1 3 319.389 3.899 20 30 DHEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1[O-] ZINC000436536335 338275931 /nfs/dbraw/zinc/27/59/31/338275931.db2.gz UUXOCHXDRPBSSK-UHFFFAOYSA-N -1 3 308.381 3.562 20 30 DHEDHM C=CCN(CC=C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436757120 338285838 /nfs/dbraw/zinc/28/58/38/338285838.db2.gz GTOPEOAIJXYOBL-UHFFFAOYSA-N -1 3 309.365 3.999 20 30 DHEDHM CC(C)CCN(CCC#N)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436960673 338296160 /nfs/dbraw/zinc/29/61/60/338296160.db2.gz KZJXMYGVJRZYDK-UHFFFAOYSA-N -1 3 314.429 3.673 20 30 DHEDHM C=CCn1c(=O)[n-]nc1S[C@H]1CCCCc2ccccc21 ZINC000470837060 339328876 /nfs/dbraw/zinc/32/88/76/339328876.db2.gz RJJZUCQHCHGWHD-AWEZNQCLSA-N -1 3 301.415 3.730 20 30 DHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000473143338 339382458 /nfs/dbraw/zinc/38/24/58/339382458.db2.gz XIENJQPCOOWEBA-MOPGFXCFSA-N -1 3 310.372 3.803 20 30 DHEDHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1cccc(C#N)c1 ZINC000487197549 339746084 /nfs/dbraw/zinc/74/60/84/339746084.db2.gz FLJODDJPPKCIPT-KBPBESRZSA-N -1 3 320.392 3.908 20 30 DHEDHM Cc1cc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1[O-] ZINC000500019324 340048729 /nfs/dbraw/zinc/04/87/29/340048729.db2.gz OMDYUXXVCMXGID-QGZVFWFLSA-N -1 3 322.408 3.993 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)COc2ccccc2C#N)c([O-])c1 ZINC000501953762 340091458 /nfs/dbraw/zinc/09/14/58/340091458.db2.gz XKCPSOLVKRBKTQ-UHFFFAOYSA-N -1 3 324.380 3.579 20 30 DHEDHM Cc1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1[O-] ZINC000078979359 341251273 /nfs/dbraw/zinc/25/12/73/341251273.db2.gz NDLZMOMXFHHGMW-UHFFFAOYSA-N -1 3 310.353 3.636 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C4CC4)c3)nc1-2 ZINC000566571381 341562101 /nfs/dbraw/zinc/56/21/01/341562101.db2.gz ZWBNJGHKQYVBBI-HNNXBMFYSA-N -1 3 316.364 3.634 20 30 DHEDHM COc1cc(C)c(NC(=O)[N-]c2snc(C)c2C#N)cc1C ZINC000297553971 536601182 /nfs/dbraw/zinc/60/11/82/536601182.db2.gz ZWLOZAARMAEGNX-UHFFFAOYSA-N -1 3 316.386 3.593 20 30 DHEDHM CCC(Cc1ccc(C)cc1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736354652 598638753 /nfs/dbraw/zinc/63/87/53/598638753.db2.gz VYHDIYLLOKLWOA-UHFFFAOYSA-N -1 3 320.400 3.596 20 30 DHEDHM CCC(Cc1ccc(C)cc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736354652 598638754 /nfs/dbraw/zinc/63/87/54/598638754.db2.gz VYHDIYLLOKLWOA-UHFFFAOYSA-N -1 3 320.400 3.596 20 30 DHEDHM C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140644 598793038 /nfs/dbraw/zinc/79/30/38/598793038.db2.gz YJKVSYLWXJBRAE-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140644 598793040 /nfs/dbraw/zinc/79/30/40/598793040.db2.gz YJKVSYLWXJBRAE-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736134355 599405776 /nfs/dbraw/zinc/40/57/76/599405776.db2.gz CHACTIWUMFSQQU-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736134355 599405779 /nfs/dbraw/zinc/40/57/79/599405779.db2.gz CHACTIWUMFSQQU-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000736663382 600590223 /nfs/dbraw/zinc/59/02/23/600590223.db2.gz YJPOZWCCWABRMV-ZBEGNZNMSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000827718466 601297575 /nfs/dbraw/zinc/29/75/75/601297575.db2.gz SVBFHPAWSVNERM-BDJLRTHQSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@H]1CC(=Cc2cccc(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824860470 607681442 /nfs/dbraw/zinc/68/14/42/607681442.db2.gz UYTUVYAOVNWZHR-YGRGUWMTSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2cccc(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824860470 607681444 /nfs/dbraw/zinc/68/14/44/607681444.db2.gz UYTUVYAOVNWZHR-YGRGUWMTSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822934660 606196214 /nfs/dbraw/zinc/19/62/14/606196214.db2.gz AYTDGLUXICMIHJ-QXMHVHEDSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822934660 606196215 /nfs/dbraw/zinc/19/62/15/606196215.db2.gz AYTDGLUXICMIHJ-QXMHVHEDSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000822935191 606196396 /nfs/dbraw/zinc/19/63/96/606196396.db2.gz GLOXYSQJLGZAFV-ZHACJKMWSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000822935191 606196397 /nfs/dbraw/zinc/19/63/97/606196397.db2.gz GLOXYSQJLGZAFV-ZHACJKMWSA-N -1 3 316.364 3.640 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000826304975 608317943 /nfs/dbraw/zinc/31/79/43/608317943.db2.gz GESCKWISGNAARF-UQDQQJHMSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000826304975 608317945 /nfs/dbraw/zinc/31/79/45/608317945.db2.gz GESCKWISGNAARF-UQDQQJHMSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000826305291 608319110 /nfs/dbraw/zinc/31/91/10/608319110.db2.gz QXTXADAXOULJMA-HMHNVIDESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000826305291 608319111 /nfs/dbraw/zinc/31/91/11/608319111.db2.gz QXTXADAXOULJMA-HMHNVIDESA-N -1 3 316.364 3.559 20 30 DHEDHM Clc1cc(N=NC2CCCCCC2)ccc1-c1nnn[n-]1 ZINC000826351228 609471891 /nfs/dbraw/zinc/47/18/91/609471891.db2.gz DMGZIFPEWKVSKB-UHFFFAOYSA-N -1 3 304.785 3.642 20 30 DHEDHM Clc1cc(N=NC2CCCCCC2)ccc1-c1nn[n-]n1 ZINC000826351228 609471893 /nfs/dbraw/zinc/47/18/93/609471893.db2.gz DMGZIFPEWKVSKB-UHFFFAOYSA-N -1 3 304.785 3.642 20 30 DHEDHM C=CCC[C@@H](C)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001573334533 947456045 /nfs/dbraw/zinc/45/60/45/947456045.db2.gz NOJZZPMFSMZPEK-GFCCVEGCSA-N -1 3 315.421 3.811 20 30 DHEDHM C=CCC[C@@H](C)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001573334533 947456052 /nfs/dbraw/zinc/45/60/52/947456052.db2.gz NOJZZPMFSMZPEK-GFCCVEGCSA-N -1 3 315.421 3.811 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)ccc1[O-] ZINC000728231980 1013270769 /nfs/dbraw/zinc/27/07/69/1013270769.db2.gz PGHLIJUUHMRYQV-RQOWECAXSA-N -1 3 316.740 3.979 20 30 DHEDHM N#CCc1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000048859137 1013516835 /nfs/dbraw/zinc/51/68/35/1013516835.db2.gz MQXVSESKCTXJQB-QGZVFWFLSA-N -1 3 311.344 3.791 20 30 DHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccco1 ZINC000121049661 1013788275 /nfs/dbraw/zinc/78/82/75/1013788275.db2.gz WAMJZWYQWRLFKP-XVJNWHFHSA-N -1 3 318.332 3.674 20 30 DHEDHM C=CC1CCN(Cc2cc(Br)ccc2C(=O)[O-])CC1 ZINC000581016732 1014515645 /nfs/dbraw/zinc/51/56/45/1014515645.db2.gz CVNCZBNVZXDOON-UHFFFAOYSA-N -1 3 324.218 3.545 20 30 DHEDHM C#C[C@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC001588377188 983356002 /nfs/dbraw/zinc/35/60/02/983356002.db2.gz JOQBBDWLAGPBEH-ZDUSSCGKSA-N -1 3 313.319 3.541 20 30 DHEDHM C#CC[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001588423042 983450203 /nfs/dbraw/zinc/45/02/03/983450203.db2.gz VFXCAGYDJDDWAT-QGZVFWFLSA-N -1 3 313.784 3.892 20 30 DHEDHM C#CCC1(N[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCC1 ZINC001588427871 983458647 /nfs/dbraw/zinc/45/86/47/983458647.db2.gz PQLXNLRDHOAXLS-CYBMUJFWSA-N -1 3 312.196 3.655 20 30 DHEDHM C=CC[C@H](Cc1ccccc1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588744538 984043424 /nfs/dbraw/zinc/04/34/24/984043424.db2.gz OGPXRMZMTNTILM-TZMCWYRMSA-N -1 3 316.426 3.679 20 30 DHEDHM O=C1c2cccc([O-])c2C/C1=C/c1ccc([N+](=O)[O-])cc1Cl ZINC000588425308 1015228381 /nfs/dbraw/zinc/22/83/81/1015228381.db2.gz JCWGIJOHPWJJPP-POHAHGRESA-N -1 3 315.712 3.776 20 30 DHEDHM C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001593207260 994215284 /nfs/dbraw/zinc/21/52/84/994215284.db2.gz BINCORAKIRZQTH-KBXCAEBGSA-N -1 3 323.396 3.866 20 30 DHEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc([O-])c(F)c1 ZINC000728429862 1016094507 /nfs/dbraw/zinc/09/45/07/1016094507.db2.gz RIUWMELZQXZOTF-UHFFFAOYSA-N -1 3 316.336 3.525 20 30 DHEDHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)cc2)cc1 ZINC000277498589 1016437103 /nfs/dbraw/zinc/43/71/03/1016437103.db2.gz XNZKSIHBEULGFD-IBGZPJMESA-N -1 3 322.408 3.987 20 30 DHEDHM COC1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000840710880 1016572359 /nfs/dbraw/zinc/57/23/59/1016572359.db2.gz MONNNJGKXITCDT-SXGWCWSVSA-N -1 3 312.207 3.531 20 30 DHEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1C(F)(F)F ZINC000255517259 1016969791 /nfs/dbraw/zinc/96/97/91/1016969791.db2.gz RLPPYSHWJFCSHA-UHFFFAOYSA-N -1 3 311.259 3.881 20 30 DHEDHM CCCc1occc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000342690904 1017018218 /nfs/dbraw/zinc/01/82/18/1017018218.db2.gz ZQYALFHEYWBESU-CYBMUJFWSA-N -1 3 307.353 3.907 20 30 DHEDHM Cc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362131925 1032245252 /nfs/dbraw/zinc/24/52/52/1032245252.db2.gz YMZWSMFOURREST-ZDUSSCGKSA-N -1 3 304.271 3.899 20 30 DHEDHM C=CC[C@@H](NC(=O)c1ccc([O-])c(C(C)=O)c1)c1ccccc1 ZINC001148670136 1032431535 /nfs/dbraw/zinc/43/15/35/1032431535.db2.gz FFCUIVFZYPGFPQ-QGZVFWFLSA-N -1 3 309.365 3.642 20 30 DHEDHM CC(C)N(C)c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000254971235 1012601625 /nfs/dbraw/zinc/60/16/25/1012601625.db2.gz MYIRDRHCYMUOKS-UHFFFAOYSA-N -1 3 318.348 3.538 20 30 DHEDHM N#Cc1ccc(Nc2cccc([O-])c2F)c(Br)c1 ZINC001212549363 1018426875 /nfs/dbraw/zinc/42/68/75/1018426875.db2.gz JCXIPICZMIZAOO-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1cc(Nc2cccc([O-])c2F)ccc1Br ZINC001212550533 1018432150 /nfs/dbraw/zinc/43/21/50/1018432150.db2.gz RJHHLAGLWOHCCJ-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM CC[C@@H](CC#N)NCc1cc(Cl)cc(Br)c1[O-] ZINC000708188848 1018836293 /nfs/dbraw/zinc/83/62/93/1018836293.db2.gz AZTJWTUAYNCHBF-JTQLQIEISA-N -1 3 317.614 3.590 20 30 DHEDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000145025646 1019678825 /nfs/dbraw/zinc/67/88/25/1019678825.db2.gz YWCRUUKBVVWWJK-UHFFFAOYSA-N -1 3 314.410 3.506 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1nc(-c2cccs2)no1 ZINC000065691445 1019760636 /nfs/dbraw/zinc/76/06/36/1019760636.db2.gz ASXPQYZZOIDQDW-FRKPEAEDSA-N -1 3 319.773 3.776 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H]2CCC(C)C)c1[O-] ZINC000727781595 1019780876 /nfs/dbraw/zinc/78/08/76/1019780876.db2.gz RAKBMRWKKWCWPC-DBPUNKTJSA-N -1 3 304.434 3.612 20 30 DHEDHM CC(=NNc1ccc(Br)nc1)c1ccc([O-])cc1F ZINC000732713160 1020270220 /nfs/dbraw/zinc/27/02/20/1020270220.db2.gz RAIFVMOYWISCEF-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM CCNC(=O)c1ccc(C)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255757648 1020350039 /nfs/dbraw/zinc/35/00/39/1020350039.db2.gz WWKIOPFMDZCHCA-UHFFFAOYSA-N -1 3 316.788 3.854 20 30 DHEDHM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000089966730 1021199818 /nfs/dbraw/zinc/19/98/18/1021199818.db2.gz AQUAGEUWQJSNAL-JSGCOSHPSA-N -1 3 308.385 3.617 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001202297615 1021206144 /nfs/dbraw/zinc/20/61/44/1021206144.db2.gz NVPWJMQSRHHYMP-UHFFFAOYSA-N -1 3 321.258 3.927 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2c(c1)CCO2 ZINC000917520277 1021286929 /nfs/dbraw/zinc/28/69/29/1021286929.db2.gz ZASGHSGEXVFUEK-PEHNMLCRSA-N -1 3 310.324 3.850 20 30 DHEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC000177586464 1021302803 /nfs/dbraw/zinc/30/28/03/1021302803.db2.gz NPJRBYGVRONZMV-UHFFFAOYSA-N -1 3 307.284 3.605 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](CC(C)C)c2cccs2)c1[O-] ZINC000918155508 1021472610 /nfs/dbraw/zinc/47/26/10/1021472610.db2.gz SXKYPDMHYAMIDI-VTNJTDAWSA-N -1 3 318.442 3.856 20 30 DHEDHM CC(=NN=C(C)c1ccc2ccccc2c1[O-])c1cnccn1 ZINC000745200929 1021683214 /nfs/dbraw/zinc/68/32/14/1021683214.db2.gz DWEIBQWVMOSGIA-UHFFFAOYSA-N -1 3 304.353 3.569 20 30 DHEDHM CCOC(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000920175641 1022075769 /nfs/dbraw/zinc/07/57/69/1022075769.db2.gz ZCUBFBNXNHGVTQ-YBFXNURJSA-N -1 3 317.772 3.841 20 30 DHEDHM CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000766486471 1022131091 /nfs/dbraw/zinc/13/10/91/1022131091.db2.gz ADNVAMLLNALRKV-UHFFFAOYSA-N -1 3 312.335 3.896 20 30 DHEDHM N#Cc1ccc(CO[N-]C(=O)CCC2CCCCC2)c(F)c1 ZINC000114451862 1022836301 /nfs/dbraw/zinc/83/63/01/1022836301.db2.gz CPFXOUBJZCACPR-UHFFFAOYSA-N -1 3 304.365 3.606 20 30 DHEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1sccc1[O-] ZINC000769776575 1023204884 /nfs/dbraw/zinc/20/48/84/1023204884.db2.gz ACLOTHBINYEOIM-UHFFFAOYSA-N -1 3 324.365 3.979 20 30 DHEDHM CCn1nc(/C=C\C(=O)c2ccc([O-])c(C)c2)c2ccccc21 ZINC000769741305 1023207695 /nfs/dbraw/zinc/20/76/95/1023207695.db2.gz RJQUPVSXPXYRSC-LUAWRHEFSA-N -1 3 306.365 3.966 20 30 DHEDHM N#Cc1ccc(COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786140447 1023662541 /nfs/dbraw/zinc/66/25/41/1023662541.db2.gz PTKJMRKVMXKLDV-UHFFFAOYSA-N -1 3 309.346 3.836 20 30 DHEDHM CC[C@H](/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000787142383 1023762992 /nfs/dbraw/zinc/76/29/92/1023762992.db2.gz VSAOGEZSNNJEDI-JIURPICXSA-N -1 3 310.113 3.915 20 30 DHEDHM CC(C)[C@H](C/N=C\c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788285786 1023871414 /nfs/dbraw/zinc/87/14/14/1023871414.db2.gz LKRZSIALEPDVCV-WXARJGPPSA-N -1 3 305.809 3.638 20 30 DHEDHM C=CCCCCCSc1nc(=O)[n-]c(C)c1C(=O)OCC ZINC000882292867 1024017662 /nfs/dbraw/zinc/01/76/62/1024017662.db2.gz HKSDFMSXJMCKOQ-UHFFFAOYSA-N -1 3 310.419 3.506 20 30 DHEDHM COC[C@H](Cc1ccccc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000746815055 1024085957 /nfs/dbraw/zinc/08/59/57/1024085957.db2.gz FPNGUNRSNSASQJ-YLRSXTQRSA-N -1 3 303.789 3.722 20 30 DHEDHM CC(C)n1ncc2c1C[C@H](/N=C/c1cc(Cl)ccc1[O-])CC2 ZINC000790098390 1024223071 /nfs/dbraw/zinc/22/30/71/1024223071.db2.gz HKJMVBFKDXOSLN-VTNJTDAWSA-N -1 3 317.820 3.799 20 30 DHEDHM CC(=[NH+][N-]c1ncccc1C)c1ccc(N2CCCC2)cc1[O-] ZINC000790191813 1024240436 /nfs/dbraw/zinc/24/04/36/1024240436.db2.gz YPASKRSLIBWDBQ-UHFFFAOYSA-N -1 3 310.401 3.532 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccc(N(C)C(C)C)nc2)ccc1[O-] ZINC000790215096 1024244827 /nfs/dbraw/zinc/24/48/27/1024244827.db2.gz GIVDDWIYIXISTQ-VMPITWQZSA-N -1 3 310.397 3.836 20 30 DHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000128604509 1024248095 /nfs/dbraw/zinc/24/80/95/1024248095.db2.gz NOTSHUQORGEUNW-QGZVFWFLSA-N -1 3 324.380 3.892 20 30 DHEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)nc2c1 ZINC000353879826 1025280498 /nfs/dbraw/zinc/28/04/98/1025280498.db2.gz VSKKIXYRCQTFNK-LBPRGKRZSA-N -1 3 324.409 3.713 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cnc(Cl)c(C)c2)ccc1[O-] ZINC000760263319 1025387319 /nfs/dbraw/zinc/38/73/19/1025387319.db2.gz NUGGXUSMEHABKY-HYXAFXHYSA-N -1 3 303.745 3.654 20 30 DHEDHM N#CC(=C([O-])c1cccc(OC2CCCCC2)c1)c1ccncn1 ZINC000354454916 1025434983 /nfs/dbraw/zinc/43/49/83/1025434983.db2.gz ASZMOAOAMHFFAF-KRWDZBQOSA-N -1 3 321.380 3.678 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1C1CCCCC1 ZINC000354475165 1025440705 /nfs/dbraw/zinc/44/07/05/1025440705.db2.gz YCLIBOGOSJYOGG-QGZVFWFLSA-N -1 3 322.412 3.890 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn2ccccc12 ZINC000729643902 1025669366 /nfs/dbraw/zinc/66/93/66/1025669366.db2.gz KNGWXEBMGKKJIU-BKLZJWBFSA-N -1 3 308.312 3.562 20 30 DHEDHM C=CCN(Cc1nc(=O)c2sccc2[n-]1)CC1CCCCC1 ZINC000069859783 1025681761 /nfs/dbraw/zinc/68/17/61/1025681761.db2.gz BCHSKJUDAHCFCH-UHFFFAOYSA-N -1 3 317.458 3.553 20 30 DHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C1CCCC1 ZINC000572076638 1027170878 /nfs/dbraw/zinc/17/08/78/1027170878.db2.gz LHMSALTXXNGCCV-OAHLLOKOSA-N -1 3 322.412 3.836 20 30 DHEDHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1(C)C ZINC000043997190 1029303320 /nfs/dbraw/zinc/30/33/20/1029303320.db2.gz BFZOIYYXQCVDSD-YUMQZZPRSA-N -1 3 302.300 3.650 20 30 DHEDHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1(C)C ZINC000043997190 1029303332 /nfs/dbraw/zinc/30/33/32/1029303332.db2.gz BFZOIYYXQCVDSD-YUMQZZPRSA-N -1 3 302.300 3.650 20 30 DHEDHM C=C(C)C(C)(C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000820118071 1029668487 /nfs/dbraw/zinc/66/84/87/1029668487.db2.gz KOIJKBGMMHEOGC-UHFFFAOYSA-N -1 3 312.369 3.665 20 30 DHEDHM Cc1csc(C2(N[C@@H](C)c3cccc(C#N)c3[O-])CCC2)n1 ZINC000866320900 1030227023 /nfs/dbraw/zinc/22/70/23/1030227023.db2.gz PJDHAAFNUIIQRC-LBPRGKRZSA-N -1 3 313.426 3.759 20 30 DHEDHM CCc1cnc(CN[C@H](CC)c2cccc(C#N)c2[O-])s1 ZINC000925165824 1030291768 /nfs/dbraw/zinc/29/17/68/1030291768.db2.gz WWDSZBMWUHOCCT-CQSZACIVSA-N -1 3 301.415 3.524 20 30 DHEDHM CCOc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794933285 1030388560 /nfs/dbraw/zinc/38/85/60/1030388560.db2.gz HSAZYZWFVMDPQU-VQHVLOKHSA-N -1 3 304.292 3.965 20 30 DHEDHM Cc1cccc2c1OC/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794937891 1030393347 /nfs/dbraw/zinc/39/33/47/1030393347.db2.gz MEBWHWAVNYXHDZ-YFHOEESVSA-N -1 3 302.276 3.638 20 30 DHEDHM CC[C@@H](NCc1nc(C2CC2)cs1)c1cccc(C#N)c1[O-] ZINC000925550173 1030399515 /nfs/dbraw/zinc/39/95/15/1030399515.db2.gz YDONEFJLSVQJPD-CQSZACIVSA-N -1 3 313.426 3.839 20 30 DHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc2c(c1)COC2 ZINC000794942910 1030420666 /nfs/dbraw/zinc/42/06/66/1030420666.db2.gz SESGZSCRVOYRCF-HYXAFXHYSA-N -1 3 302.276 3.597 20 30 DHEDHM CC[C@H](NCc1cc(F)cnc1Cl)c1cccc(C#N)c1[O-] ZINC000926501117 1030768533 /nfs/dbraw/zinc/76/85/33/1030768533.db2.gz BCBUQOROLIGNEL-AWEZNQCLSA-N -1 3 319.767 3.692 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000844654437 1031270236 /nfs/dbraw/zinc/27/02/36/1031270236.db2.gz RBNCWVHOGKZXKI-QWRGUYRKSA-N -1 3 323.462 3.922 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000536689323 1031392999 /nfs/dbraw/zinc/39/29/99/1031392999.db2.gz XUJJOYCAUAMCLE-HNNXBMFYSA-N -1 3 314.772 3.603 20 30 DHEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1ccccc1Br ZINC001223976737 1031608540 /nfs/dbraw/zinc/60/85/40/1031608540.db2.gz ZAVSRXADFCEESR-PXAAABLISA-N -1 3 321.174 3.758 20 30 DHEDHM Cc1ccc([C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)o1 ZINC000845840758 1031739545 /nfs/dbraw/zinc/73/95/45/1031739545.db2.gz FJLDKLQNUPUFPL-GDBMZVCRSA-N -1 3 321.376 3.701 20 30 DHEDHM Cc1cc(Br)c([O-])c(CNCC2(C#N)CCCC2)c1 ZINC000846009949 1031804422 /nfs/dbraw/zinc/80/44/22/1031804422.db2.gz GDXUCNFVBRLJDO-UHFFFAOYSA-N -1 3 323.234 3.637 20 30 DHEDHM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000361529376 1031974310 /nfs/dbraw/zinc/97/43/10/1031974310.db2.gz DWDZTSAZCBUTOX-MRXNPFEDSA-N -1 3 317.304 3.633 20 30 DHEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361540337 1031975677 /nfs/dbraw/zinc/97/56/77/1031975677.db2.gz IYLWFEIXYNDUCI-MRXNPFEDSA-N -1 3 320.323 3.873 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000846543583 1031994231 /nfs/dbraw/zinc/99/42/31/1031994231.db2.gz LPFGMIUOBDJGMH-LLVKDONJSA-N -1 3 320.776 3.550 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC000846554254 1032000527 /nfs/dbraw/zinc/00/05/27/1032000527.db2.gz IYSUAFJGZPHXQA-SECBINFHSA-N -1 3 313.369 3.703 20 30 DHEDHM CC(C)(C)c1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001144868929 1032010040 /nfs/dbraw/zinc/01/00/40/1032010040.db2.gz LBXSMMWTVHHLTP-UHFFFAOYSA-N -1 3 308.381 3.743 20 30 DHEDHM CC(C)OC1CC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863124979 1034001449 /nfs/dbraw/zinc/00/14/49/1034001449.db2.gz JRPADPWHBUCWLJ-UHFFFAOYSA-N -1 3 302.403 3.648 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC001174072066 1034130398 /nfs/dbraw/zinc/13/03/98/1034130398.db2.gz GDUVFCZYNONIJT-UHFFFAOYSA-N -1 3 321.380 3.634 20 30 DHEDHM COC(=O)Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000863950773 1034228946 /nfs/dbraw/zinc/22/89/46/1034228946.db2.gz MMSYPNPRBWMKGT-UHFFFAOYSA-N -1 3 303.745 3.512 20 30 DHEDHM COC(=O)Nc1cccc(CN=Cc2cc(Cl)ccc2[O-])c1 ZINC000794677638 1034338734 /nfs/dbraw/zinc/33/87/34/1034338734.db2.gz WWYDVHVJHCLTLX-VCHYOVAHSA-N -1 3 318.760 3.843 20 30 DHEDHM CCc1noc([C@@H]2CC[C@H](/N=C\c3cc(Cl)ccc3[O-])C2)n1 ZINC000899227229 1034516098 /nfs/dbraw/zinc/51/60/98/1034516098.db2.gz HPBSCIWPFFYGEK-VDRMKOFQSA-N -1 3 319.792 3.746 20 30 DHEDHM CCc1noc([C@@H]2CC[C@@H](/N=C/c3cc(Cl)ccc3[O-])C2)n1 ZINC000899227227 1034517582 /nfs/dbraw/zinc/51/75/82/1034517582.db2.gz HPBSCIWPFFYGEK-RWFLBYKSSA-N -1 3 319.792 3.746 20 30 DHEDHM Cc1cccc(CC/N=C/c2cc(Br)ccc2[O-])n1 ZINC000794832303 1034551040 /nfs/dbraw/zinc/55/10/40/1034551040.db2.gz GWHRWHAYODAEFZ-LICLKQGHSA-N -1 3 319.202 3.520 20 30 DHEDHM C=CCOC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(F)c1 ZINC001175267850 1034914119 /nfs/dbraw/zinc/91/41/19/1034914119.db2.gz ANHCKJWZVVRFJV-UHFFFAOYSA-N -1 3 323.270 3.896 20 30 DHEDHM C=CCOC(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175269624 1034916644 /nfs/dbraw/zinc/91/66/44/1034916644.db2.gz ILHHUBNXVNGWCC-UHFFFAOYSA-N -1 3 305.280 3.757 20 30 DHEDHM COc1cccc(CC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901368339 1035134765 /nfs/dbraw/zinc/13/47/65/1035134765.db2.gz VVZVTLWIYLBKDM-UHFFFAOYSA-N -1 3 321.376 3.809 20 30 DHEDHM C=CCCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001176187509 1035215538 /nfs/dbraw/zinc/21/55/38/1035215538.db2.gz GKFQMVQQAZLZIT-INIZCTEOSA-N -1 3 311.381 3.925 20 30 DHEDHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170910 1035381022 /nfs/dbraw/zinc/38/10/22/1035381022.db2.gz GVSIHAWTFLZFMT-ZFWWWQNUSA-N -1 3 311.381 3.563 20 30 DHEDHM CCCCCCN([O-])C(=O)CCC(=O)c1c(F)cccc1F ZINC000904207103 1035382408 /nfs/dbraw/zinc/38/24/08/1035382408.db2.gz QOQLLUASPAALDR-UHFFFAOYSA-N -1 3 313.344 3.726 20 30 DHEDHM N#CCCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178218 1035382802 /nfs/dbraw/zinc/38/28/02/1035382802.db2.gz CICOZQMWUASXGH-UHFFFAOYSA-N -1 3 301.173 3.795 20 30 DHEDHM O=C([C@H]1CCOC2(CCCC2)C1)N([O-])Cc1ccccc1Cl ZINC000904192149 1035383654 /nfs/dbraw/zinc/38/36/54/1035383654.db2.gz BUZMJIZPHGETKI-ZDUSSCGKSA-N -1 3 323.820 3.797 20 30 DHEDHM CC[C@H]1C[C@H](CC(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191114 1035384078 /nfs/dbraw/zinc/38/40/78/1035384078.db2.gz UEMQBTSSHUZKDV-OCCSQVGLSA-N -1 3 311.809 3.653 20 30 DHEDHM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001180511829 1035692919 /nfs/dbraw/zinc/69/29/19/1035692919.db2.gz IRRWUTMIZAWBOA-UHFFFAOYSA-N -1 3 324.380 3.713 20 30 DHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001194425552 1035928276 /nfs/dbraw/zinc/92/82/76/1035928276.db2.gz RGPXHBDGDAQXTG-UHFFFAOYSA-N -1 3 321.895 3.981 20 30 DHEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC001194591488 1035968263 /nfs/dbraw/zinc/96/82/63/1035968263.db2.gz NHLACMDZPWQATC-UHFFFAOYSA-N -1 3 317.813 3.504 20 30 DHEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001194638192 1035974372 /nfs/dbraw/zinc/97/43/72/1035974372.db2.gz IQHFUGVZMLRUMX-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM COc1ccc([C@H](C(=O)Nc2ccc([O-])c(C#N)c2)C(C)C)cc1 ZINC001182993268 1036497360 /nfs/dbraw/zinc/49/73/60/1036497360.db2.gz KXCPZEXIZLAKKX-GOSISDBHSA-N -1 3 324.380 3.651 20 30 DHEDHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000029972210 1036588111 /nfs/dbraw/zinc/58/81/11/1036588111.db2.gz SQFPULRRLJCUSZ-UHFFFAOYSA-N -1 3 314.410 3.677 20 30 DHEDHM O=C(C[C@H]1CC[C@H](C2CC2)O1)N([O-])CCCCc1ccccc1 ZINC001184305397 1036793407 /nfs/dbraw/zinc/79/34/07/1036793407.db2.gz IEYFPPNFWFPAMZ-QZTJIDSGSA-N -1 3 317.429 3.575 20 30 DHEDHM CCCCN([O-])C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC001184315112 1036797012 /nfs/dbraw/zinc/79/70/12/1036797012.db2.gz QQHHCGKSTBODJH-UHFFFAOYSA-N -1 3 308.378 3.505 20 30 DHEDHM C=C(C)c1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197603498 1036820104 /nfs/dbraw/zinc/82/01/04/1036820104.db2.gz REYKAPWCSRMNBQ-UHFFFAOYSA-N -1 3 323.364 3.940 20 30 DHEDHM CC(C)[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000763095741 1037255982 /nfs/dbraw/zinc/25/59/82/1037255982.db2.gz DZBQHGVVZVGCBP-UHPUNMKFSA-N -1 3 311.809 3.831 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(C)c(C)c2)c(OC)cc1[O-] ZINC000763106136 1037257134 /nfs/dbraw/zinc/25/71/34/1037257134.db2.gz OELVNHVXIQFNBN-FPLPWBNLSA-N -1 3 312.365 3.922 20 30 DHEDHM CCCCN(CCC#N)Cc1cc(Br)ccc1[O-] ZINC001203643065 1037461441 /nfs/dbraw/zinc/46/14/41/1037461441.db2.gz RFOMYBBUYCBJBL-UHFFFAOYSA-N -1 3 311.223 3.670 20 30 DHEDHM COc1cc(OC(F)(F)F)ccc1Nc1cc(C#N)ccc1[O-] ZINC001201359958 1037612473 /nfs/dbraw/zinc/61/24/73/1037612473.db2.gz DOUVFXCQYFHGIW-UHFFFAOYSA-N -1 3 324.258 3.915 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc(Cl)nc1C ZINC001187994872 1037774607 /nfs/dbraw/zinc/77/46/07/1037774607.db2.gz SRRQSMYNYOHZSC-UHFFFAOYSA-N -1 3 319.858 3.541 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC001202164069 1038075651 /nfs/dbraw/zinc/07/56/51/1038075651.db2.gz FKZRWQKVXWXNPV-UHFFFAOYSA-N -1 3 321.258 3.927 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccnc3ccccc23)ccc1[O-] ZINC000165410433 1038498467 /nfs/dbraw/zinc/49/84/67/1038498467.db2.gz NPAKUHCVTOMXPB-SOFGYWHQSA-N -1 3 305.333 3.845 20 30 DHEDHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000599147120 1039056639 /nfs/dbraw/zinc/05/66/39/1039056639.db2.gz HNQPAVHWVGUWDY-AWEZNQCLSA-N -1 3 308.381 3.796 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000599970785 1039408006 /nfs/dbraw/zinc/40/80/06/1039408006.db2.gz ZNFOOFQFGRQULK-MRXNPFEDSA-N -1 3 308.381 3.866 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000417603779 335003885 /nfs/dbraw/zinc/00/38/85/335003885.db2.gz AIVPPMRRYLXPEY-JTQLQIEISA-N -1 3 321.726 3.868 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(-c2cccc(F)c2C)o1 ZINC000417625831 335015862 /nfs/dbraw/zinc/01/58/62/335015862.db2.gz MZDRZKJKLFNFKC-ZDUSSCGKSA-N -1 3 317.360 3.903 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)n(C(C)C)c2C)n1 ZINC000041520760 183196594 /nfs/dbraw/zinc/19/65/94/183196594.db2.gz OFRLVOYHAQEFFT-CQSZACIVSA-N -1 3 301.415 3.941 20 30 DHEDHM Cc1csc([N-]C(=O)c2nc(C(C)C)ncc2Cl)c1C#N ZINC000288741058 131338079 /nfs/dbraw/zinc/33/80/79/131338079.db2.gz HAJIKROJZVNLMX-UHFFFAOYSA-N -1 3 320.805 3.747 20 30 DHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc(Cl)nn2)s1 ZINC000297619072 132025567 /nfs/dbraw/zinc/02/55/67/132025567.db2.gz BHZAMRZLVNRQSN-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)no1 ZINC000297903838 132040119 /nfs/dbraw/zinc/04/01/19/132040119.db2.gz REQBHYOVQLGYKC-SCZZXKLOSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc([O-])c(CC)c1 ZINC000557577479 331800653 /nfs/dbraw/zinc/80/06/53/331800653.db2.gz VMBPZCDCPNPSNZ-UHFFFAOYSA-N -1 3 309.409 3.826 20 30 DHEDHM C=CC[C@@H](NCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000426813927 332157037 /nfs/dbraw/zinc/15/70/37/332157037.db2.gz ASZDAGXFIHHKIM-CQSZACIVSA-N -1 3 305.761 3.719 20 30 DHEDHM C[C@@H](CC#N)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179542065 333025570 /nfs/dbraw/zinc/02/55/70/333025570.db2.gz NFADNBVIOZFWFW-ZDUSSCGKSA-N -1 3 310.353 3.559 20 30 DHEDHM C=CC(C)(C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000294620191 335126463 /nfs/dbraw/zinc/12/64/63/335126463.db2.gz WICATFPSSGAAJZ-UHFFFAOYSA-N -1 3 311.385 3.562 20 30 DHEDHM C=CCC[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000186893299 333381022 /nfs/dbraw/zinc/38/10/22/333381022.db2.gz PMCRHIQQPXTKBA-INIZCTEOSA-N -1 3 313.372 3.898 20 30 DHEDHM CCc1ocnc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000410924310 333608780 /nfs/dbraw/zinc/60/87/80/333608780.db2.gz DJCKIPPVNPMREX-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM CN(C)C(=O)[C@@H]1CCC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000265138248 333963497 /nfs/dbraw/zinc/96/34/97/333963497.db2.gz MSPXTIZJUSTADH-KRVQGDJZSA-N -1 3 324.424 3.611 20 30 DHEDHM Cc1ccc([O-])c(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c1 ZINC000330612315 334792024 /nfs/dbraw/zinc/79/20/24/334792024.db2.gz XIOSPDGPQCJWCD-OAHLLOKOSA-N -1 3 301.390 3.526 20 30 DHEDHM Cc1csc([N-]C(=O)c2coc(Br)c2)c1C#N ZINC000344915263 335285469 /nfs/dbraw/zinc/28/54/69/335285469.db2.gz ATUKPUHWBDZKPC-UHFFFAOYSA-N -1 3 311.160 3.536 20 30 DHEDHM Cc1csc([N-]C(=O)c2ccoc2Br)c1C#N ZINC000344933828 335286380 /nfs/dbraw/zinc/28/63/80/335286380.db2.gz YAIJGDIXICJYIH-UHFFFAOYSA-N -1 3 311.160 3.536 20 30 DHEDHM CCc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345388423 335322408 /nfs/dbraw/zinc/32/24/08/335322408.db2.gz ZYWDPEZKQAIQIT-LLVKDONJSA-N -1 3 324.409 3.689 20 30 DHEDHM CCc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)co1 ZINC000346526971 335418588 /nfs/dbraw/zinc/41/85/88/335418588.db2.gz JNHRZCCUGUTBGM-UHFFFAOYSA-N -1 3 315.398 3.691 20 30 DHEDHM C[C@@H](C(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000349515597 335678223 /nfs/dbraw/zinc/67/82/23/335678223.db2.gz CPZFVUYLGVADIM-OIBJUYFYSA-N -1 3 324.224 3.585 20 30 DHEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000330233481 336127907 /nfs/dbraw/zinc/12/79/07/336127907.db2.gz SDNDTDYFNGMDGS-WPRPVWTQSA-N -1 3 320.805 3.788 20 30 DHEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc([O-])cc(F)c1 ZINC000351998220 336187212 /nfs/dbraw/zinc/18/72/12/336187212.db2.gz YMYZUDXBGQQSRG-UHFFFAOYSA-N -1 3 316.332 3.628 20 30 DHEDHM Cc1sc([N-]C(=O)c2c(F)cc(F)cc2F)c(C#N)c1C ZINC000356580129 336555174 /nfs/dbraw/zinc/55/51/74/336555174.db2.gz GDQVXLKWUXUMOO-UHFFFAOYSA-N -1 3 310.300 3.906 20 30 DHEDHM N#CC[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccccc1 ZINC000356611515 336556296 /nfs/dbraw/zinc/55/62/96/336556296.db2.gz CJMZWPWPIQUQKJ-KRWDZBQOSA-N -1 3 320.392 3.759 20 30 DHEDHM CCc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c(C)o1 ZINC000360937134 336728480 /nfs/dbraw/zinc/72/84/80/336728480.db2.gz XPOZSIANLWBWSQ-UHFFFAOYSA-N -1 3 315.398 3.610 20 30 DHEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc(C)cs2)cc1C ZINC000180731362 337177456 /nfs/dbraw/zinc/17/74/56/337177456.db2.gz TYFODAVGFKSCAC-ZDUSSCGKSA-N -1 3 300.383 3.567 20 30 DHEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2)o1 ZINC000185252088 337203686 /nfs/dbraw/zinc/20/36/86/337203686.db2.gz FMKMXORNZJAKCA-CQSZACIVSA-N -1 3 303.321 3.535 20 30 DHEDHM N#C[C@@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccccc1Cl ZINC000187038481 337261400 /nfs/dbraw/zinc/26/14/00/337261400.db2.gz LBKYCAOMRZMYEL-GFCCVEGCSA-N -1 3 324.689 3.752 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1cnc2ccccc2n1 ZINC000190941470 337291627 /nfs/dbraw/zinc/29/16/27/337291627.db2.gz IYGCUOCLXGGKTB-INIZCTEOSA-N -1 3 313.360 3.609 20 30 DHEDHM N#Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000583861901 337354792 /nfs/dbraw/zinc/35/47/92/337354792.db2.gz MBEGNRCEDCKFQV-UHFFFAOYSA-N -1 3 315.373 3.504 20 30 DHEDHM N#CCCC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263417540 337628372 /nfs/dbraw/zinc/62/83/72/337628372.db2.gz NTZSXBYPYILPDD-GOSISDBHSA-N -1 3 308.381 3.910 20 30 DHEDHM CCc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000425106546 338015486 /nfs/dbraw/zinc/01/54/86/338015486.db2.gz HJEVRKODDBGQRB-CYBMUJFWSA-N -1 3 308.381 3.659 20 30 DHEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C#N)oc1C ZINC000436093775 338258190 /nfs/dbraw/zinc/25/81/90/338258190.db2.gz VRMFOZTXAQSUNS-UHFFFAOYSA-N -1 3 307.309 3.675 20 30 DHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436537563 338275981 /nfs/dbraw/zinc/27/59/81/338275981.db2.gz HQYQEMKXAYVTPB-UHFFFAOYSA-N -1 3 320.392 3.709 20 30 DHEDHM Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c([O-])c1C ZINC000436557507 338276910 /nfs/dbraw/zinc/27/69/10/338276910.db2.gz WZHFLNUUPZZVOR-HNNXBMFYSA-N -1 3 314.772 3.657 20 30 DHEDHM C=C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436570189 338277665 /nfs/dbraw/zinc/27/76/65/338277665.db2.gz NNZANZASLJABMC-UHFFFAOYSA-N -1 3 309.365 3.977 20 30 DHEDHM CCc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000436828975 338289070 /nfs/dbraw/zinc/28/90/70/338289070.db2.gz KRDURFLNZGCSMF-KRWDZBQOSA-N -1 3 308.381 3.729 20 30 DHEDHM Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1[O-] ZINC000436940701 338294882 /nfs/dbraw/zinc/29/48/82/338294882.db2.gz XUVHYYWYYJNOQS-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2Cl)n1 ZINC000438875447 338354616 /nfs/dbraw/zinc/35/46/16/338354616.db2.gz NSOLGDKRYBVJQB-UHFFFAOYSA-N -1 3 319.817 3.703 20 30 DHEDHM C=CCC1(NC(=O)NCc2ccc([O-])c(F)c2)CCCCC1 ZINC000458402590 338997874 /nfs/dbraw/zinc/99/78/74/338997874.db2.gz BERHJIULWPGYCH-UHFFFAOYSA-N -1 3 306.381 3.610 20 30 DHEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471700939 339351504 /nfs/dbraw/zinc/35/15/04/339351504.db2.gz DVIPYKHOGPESPQ-UHFFFAOYSA-N -1 3 316.360 3.689 20 30 DHEDHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1cccc(C#N)c1 ZINC000487197552 339746081 /nfs/dbraw/zinc/74/60/81/339746081.db2.gz FLJODDJPPKCIPT-UONOGXRCSA-N -1 3 320.392 3.908 20 30 DHEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506238666 340189703 /nfs/dbraw/zinc/18/97/03/340189703.db2.gz QQQWQKOKPWDBHI-GOSISDBHSA-N -1 3 305.418 3.857 20 30 DHEDHM CCc1ccc([O-])c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000539787534 340899734 /nfs/dbraw/zinc/89/97/34/340899734.db2.gz QWNUKUWIPFWZGZ-UHFFFAOYSA-N -1 3 300.745 3.732 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822225054 607456663 /nfs/dbraw/zinc/45/66/63/607456663.db2.gz MEHOUNMNQGVORV-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822225054 607456664 /nfs/dbraw/zinc/45/66/64/607456664.db2.gz MEHOUNMNQGVORV-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM C[C@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2)C(=O)c2ccccc21 ZINC000824857522 607680816 /nfs/dbraw/zinc/68/08/16/607680816.db2.gz DHZOQHVLNNUGJM-CMHHUMAZSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2)C(=O)c2ccccc21 ZINC000824857522 607680818 /nfs/dbraw/zinc/68/08/18/607680818.db2.gz DHZOQHVLNNUGJM-CMHHUMAZSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)s1 ZINC000822922546 606302960 /nfs/dbraw/zinc/30/29/60/606302960.db2.gz HHXDYDAVZIYDPA-UPHRSURJSA-N -1 3 322.802 3.539 20 30 DHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)s1 ZINC000822922546 606302962 /nfs/dbraw/zinc/30/29/62/606302962.db2.gz HHXDYDAVZIYDPA-UPHRSURJSA-N -1 3 322.802 3.539 20 30 DHEDHM Cc1cc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822193249 606304241 /nfs/dbraw/zinc/30/42/41/606304241.db2.gz PRXICUCRTFZJCK-PLNGDYQASA-N -1 3 324.409 3.750 20 30 DHEDHM Cc1cc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822193249 606304243 /nfs/dbraw/zinc/30/42/43/606304243.db2.gz PRXICUCRTFZJCK-PLNGDYQASA-N -1 3 324.409 3.750 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826297099 947857335 /nfs/dbraw/zinc/85/73/35/947857335.db2.gz VGACKYFZEMQION-HJWRWDBZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826297099 947857341 /nfs/dbraw/zinc/85/73/41/947857341.db2.gz VGACKYFZEMQION-HJWRWDBZSA-N -1 3 322.343 3.519 20 30 DHEDHM CCC(CC)N(CC)c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001167111696 1013158826 /nfs/dbraw/zinc/15/88/26/1013158826.db2.gz WDNGXCSSXDNDQN-OVCLIPMQSA-N -1 3 316.858 3.675 20 30 DHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000196137230 1013455820 /nfs/dbraw/zinc/45/58/20/1013455820.db2.gz ZWBVVGDLPOQNGS-UHFFFAOYSA-N -1 3 301.411 3.914 20 30 DHEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C(=O)N(C)C ZINC000255119715 1013796791 /nfs/dbraw/zinc/79/67/91/1013796791.db2.gz AHAAASUQLXLTBU-UHFFFAOYSA-N -1 3 316.788 3.806 20 30 DHEDHM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331248019 1013870491 /nfs/dbraw/zinc/87/04/91/1013870491.db2.gz WMHNBRWERKKSNN-CHWSQXEVSA-N -1 3 307.415 3.574 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000521623296 1014745384 /nfs/dbraw/zinc/74/53/84/1014745384.db2.gz QJENJZLAMWPKSB-ZDUSSCGKSA-N -1 3 312.394 3.655 20 30 DHEDHM CCCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1ccc(C#N)cc1 ZINC001595885724 982908601 /nfs/dbraw/zinc/90/86/01/982908601.db2.gz CYSQDASJYNMJKO-UHFFFAOYSA-N -1 3 312.369 3.570 20 30 DHEDHM O=C1CSc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2N1 ZINC000255335289 1015092348 /nfs/dbraw/zinc/09/23/48/1015092348.db2.gz MURWZZIVEOUTCH-UHFFFAOYSA-N -1 3 318.785 3.840 20 30 DHEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])cs1 ZINC001593208477 994227218 /nfs/dbraw/zinc/22/72/18/994227218.db2.gz CLNKOGZIADJQPV-LLVKDONJSA-N -1 3 312.394 3.658 20 30 DHEDHM C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(C#N)c1 ZINC001593292983 994680966 /nfs/dbraw/zinc/68/09/66/994680966.db2.gz RAOJWFCJLHYFND-LLVKDONJSA-N -1 3 314.772 3.761 20 30 DHEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1cccc(Br)n1 ZINC001227344879 1016581893 /nfs/dbraw/zinc/58/18/93/1016581893.db2.gz GHJURGRSESWDRH-VIFPVBQESA-N -1 3 319.158 3.561 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(OC2COC2)cc1 ZINC000588534420 1017038415 /nfs/dbraw/zinc/03/84/15/1017038415.db2.gz XOQUKFKFKIXROZ-UHFFFAOYSA-N -1 3 303.745 3.574 20 30 DHEDHM N#CC(=C([O-])c1cc2c(s1)CCCC2)c1nc2ccccc2[nH]1 ZINC000046706200 1032181133 /nfs/dbraw/zinc/18/11/33/1032181133.db2.gz OXIFVTHMWWYNQV-GFCCVEGCSA-N -1 3 321.405 3.993 20 30 DHEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000119044052 1032258401 /nfs/dbraw/zinc/25/84/01/1032258401.db2.gz ICBLLMPLYIANCA-HNNXBMFYSA-N -1 3 322.408 3.605 20 30 DHEDHM C=CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccncc1 ZINC001147006894 1032268609 /nfs/dbraw/zinc/26/86/09/1032268609.db2.gz HPPUTUCRUREJKG-OAHLLOKOSA-N -1 3 314.410 3.556 20 30 DHEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001148507019 1032411888 /nfs/dbraw/zinc/41/18/88/1032411888.db2.gz LEHQOSCEFXDZHA-AWEZNQCLSA-N -1 3 311.381 3.756 20 30 DHEDHM CCC(N=Nc1nccnc1C(C)C)c1ccc([O-])c(F)c1 ZINC000773091071 1032554520 /nfs/dbraw/zinc/55/45/20/1032554520.db2.gz MTGNYTPHSCLWIA-UHFFFAOYSA-N -1 3 302.353 3.671 20 30 DHEDHM N#Cc1c([N-]C(=O)c2ccc(Cl)o2)sc2c1CCCC2 ZINC000060749541 1018803042 /nfs/dbraw/zinc/80/30/42/1018803042.db2.gz WSVDZFJANFQIML-UHFFFAOYSA-N -1 3 306.774 3.997 20 30 DHEDHM Cc1[nH]c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2c1C ZINC000073973039 1019313594 /nfs/dbraw/zinc/31/35/94/1019313594.db2.gz BGSRNOIAEGJIHI-UHFFFAOYSA-N -1 3 321.340 3.799 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc2c(c1)OCCCO2 ZINC000727265063 1019678087 /nfs/dbraw/zinc/67/80/87/1019678087.db2.gz GUOSQRIVKRGSIX-YBFXNURJSA-N -1 3 317.772 3.826 20 30 DHEDHM C=CCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731768936 1020144179 /nfs/dbraw/zinc/14/41/79/1020144179.db2.gz XDICFJUSWOAKAZ-UHFFFAOYSA-N -1 3 321.174 3.572 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cc(C(F)(F)F)ccc2F)c1O ZINC000255715442 1020332885 /nfs/dbraw/zinc/33/28/85/1020332885.db2.gz LLLCNKVXUSTJDO-UHFFFAOYSA-N -1 3 315.222 3.712 20 30 DHEDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC000091990232 1020479933 /nfs/dbraw/zinc/47/99/33/1020479933.db2.gz USEFUOWVMGKWTJ-ROUUACIJSA-N -1 3 320.392 3.613 20 30 DHEDHM COc1ccc2c(c1)OCC[C@@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000741758280 1021045867 /nfs/dbraw/zinc/04/58/67/1021045867.db2.gz SJXLHPZTBFMYRS-RPJLVFAOSA-N -1 3 317.772 3.997 20 30 DHEDHM C[C@@H]1Cc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116537 1021178708 /nfs/dbraw/zinc/17/87/08/1021178708.db2.gz ZZMUBIWOTHIGOC-YGRLFVJLSA-N -1 3 324.405 3.834 20 30 DHEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(C(F)(F)F)c2)c1 ZINC000776279438 1021231098 /nfs/dbraw/zinc/23/10/98/1021231098.db2.gz KBNSWDVLKVTDRF-UHFFFAOYSA-N -1 3 321.254 3.640 20 30 DHEDHM COc1cc(CN=Nc2ncccc2Cl)cc(Cl)c1[O-] ZINC000917549673 1021299471 /nfs/dbraw/zinc/29/94/71/1021299471.db2.gz YWCVSPMALQNJCE-UHFFFAOYSA-N -1 3 312.156 3.549 20 30 DHEDHM CCOc1cc(/C=C/C(=O)c2cncs2)cc(Cl)c1[O-] ZINC000776433778 1021373229 /nfs/dbraw/zinc/37/32/29/1021373229.db2.gz JOEAFBPCVMZTEU-ONEGZZNKSA-N -1 3 309.774 3.797 20 30 DHEDHM C=C(Cl)CN(CC)Cc1cc(Br)ccc1[O-] ZINC000743872426 1021397990 /nfs/dbraw/zinc/39/79/90/1021397990.db2.gz WFPOIVBMYUXSHQ-UHFFFAOYSA-N -1 3 304.615 3.729 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)ccc1[O-] ZINC000728697144 1021672507 /nfs/dbraw/zinc/67/25/07/1021672507.db2.gz DKRCHJOXFBJNOT-KVEVGEHQSA-N -1 3 307.349 3.888 20 30 DHEDHM Cc1ccc(C(F)(F)F)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000746393856 1022060591 /nfs/dbraw/zinc/06/05/91/1022060591.db2.gz LFZJISLOFNHPJZ-UHFFFAOYSA-N -1 3 324.302 3.666 20 30 DHEDHM N#CC1(c2ccc(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc2)CC1 ZINC001212249578 1022116444 /nfs/dbraw/zinc/11/64/44/1022116444.db2.gz CCTNXJGDJHLQIX-UHFFFAOYSA-N -1 3 316.364 3.877 20 30 DHEDHM N#CC(=C([O-])c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000041557683 1022172369 /nfs/dbraw/zinc/17/23/69/1022172369.db2.gz SUGQYPHCIXJBDT-SNVBAGLBSA-N -1 3 301.252 3.514 20 30 DHEDHM C[C@H](C#N)N(Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000853547323 1022292987 /nfs/dbraw/zinc/29/29/87/1022292987.db2.gz UGWPQUKIDMNRIL-GFCCVEGCSA-N -1 3 310.397 3.894 20 30 DHEDHM C=CCCC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCC1 ZINC000617416092 1022941707 /nfs/dbraw/zinc/94/17/07/1022941707.db2.gz AWRHAEIVPHGHFI-UHFFFAOYSA-N -1 3 324.424 3.785 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2nc(Cl)ccc2F)c1C#N ZINC000759859530 1023149940 /nfs/dbraw/zinc/14/99/40/1023149940.db2.gz MLZDKBOFQZTPCE-UHFFFAOYSA-N -1 3 323.780 3.930 20 30 DHEDHM C=CC1CCN(Cc2c(Br)cccc2C(=O)[O-])CC1 ZINC000652412437 1023852608 /nfs/dbraw/zinc/85/26/08/1023852608.db2.gz GKFUWQBNBFFYCD-UHFFFAOYSA-N -1 3 324.218 3.545 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1COc2cc(F)cc(F)c21 ZINC000783685565 1024257317 /nfs/dbraw/zinc/25/73/17/1024257317.db2.gz PCNAPSDYMYJLGV-IPGRFHNLSA-N -1 3 309.699 3.876 20 30 DHEDHM O=[N+]([O-])c1c(F)cccc1N=NCc1c([O-])cccc1Cl ZINC000790310343 1024283122 /nfs/dbraw/zinc/28/31/22/1024283122.db2.gz FFQPOCUGTLDNNG-UHFFFAOYSA-N -1 3 309.684 3.539 20 30 DHEDHM N#Cc1c([N-]C(=O)c2cocn2)sc2c1-c1ccccc1CC2 ZINC000105369739 1024356132 /nfs/dbraw/zinc/35/61/32/1024356132.db2.gz MVHAGIVEQKEKKT-UHFFFAOYSA-N -1 3 321.361 3.626 20 30 DHEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791366664 1024483598 /nfs/dbraw/zinc/48/35/98/1024483598.db2.gz LVUGVAKNMHQSSS-APPDUMDISA-N -1 3 314.410 3.809 20 30 DHEDHM C#CCOc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792149440 1024635844 /nfs/dbraw/zinc/63/58/44/1024635844.db2.gz KCJSEPNRFNJQRR-UHFFFAOYSA-N -1 3 317.344 3.810 20 30 DHEDHM N#Cc1ccc(CNc2[n-]c(=O)c(Cl)cc2Cl)s1 ZINC001170200388 1024699397 /nfs/dbraw/zinc/69/93/97/1024699397.db2.gz LMWGNNNTASDQHU-UHFFFAOYSA-N -1 3 300.170 3.639 20 30 DHEDHM N#CC(=C([O-])c1ccccc1Cc1ccccc1)c1ccncn1 ZINC000354464665 1025434234 /nfs/dbraw/zinc/43/42/34/1025434234.db2.gz KAJGMUCONATCFT-SFHVURJKSA-N -1 3 313.360 3.557 20 30 DHEDHM CC(C)CCN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354805020 1025512349 /nfs/dbraw/zinc/51/23/49/1025512349.db2.gz CWQAVNWBNMPWAO-UHFFFAOYSA-N -1 3 310.397 3.947 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 ZINC000411014036 1025794229 /nfs/dbraw/zinc/79/42/29/1025794229.db2.gz PBQKAOWRGYBXHE-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[C@]12CCCO2 ZINC000887269805 1026164673 /nfs/dbraw/zinc/16/46/73/1026164673.db2.gz BLUVHSRKNFDGHV-BIJYSIMDSA-N -1 3 324.218 3.675 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2cccc3ccccc32)c1[O-] ZINC000747712728 1026996963 /nfs/dbraw/zinc/99/69/63/1026996963.db2.gz FISLHYCMSNPMLJ-BTXKWLAHSA-N -1 3 320.392 3.921 20 30 DHEDHM C#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000812353292 1027251581 /nfs/dbraw/zinc/25/15/81/1027251581.db2.gz LDUQXMOXGOPDDB-OAHLLOKOSA-N -1 3 320.175 3.803 20 30 DHEDHM N#Cc1ncccc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000813163468 1027540678 /nfs/dbraw/zinc/54/06/78/1027540678.db2.gz FNKGVCRRJUEBQJ-UHFFFAOYSA-N -1 3 317.757 3.506 20 30 DHEDHM N#CCCN(Cc1ccccn1)Cc1ccc2ccccc2c1[O-] ZINC000816503956 1028907784 /nfs/dbraw/zinc/90/77/84/1028907784.db2.gz SOUBZNDOIXKAJB-UHFFFAOYSA-N -1 3 317.392 3.856 20 30 DHEDHM C[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817524271 1029189292 /nfs/dbraw/zinc/18/92/92/1029189292.db2.gz QLOCPPHNJIZXNC-ZETCQYMHSA-N -1 3 307.127 3.504 20 30 DHEDHM C[C@@H]1COC(=O)C1=N[N-]c1c(Cl)cc(Cl)cc1Cl ZINC000794857077 1029976583 /nfs/dbraw/zinc/97/65/83/1029976583.db2.gz VXDIFGZNHBMUEI-RXMQYKEDSA-N -1 3 307.564 3.608 20 30 DHEDHM C#C[C@H]([N-]c1nc(C(C)(C)OC)ns1)c1ccc(Cl)cc1 ZINC000865819556 1030040380 /nfs/dbraw/zinc/04/03/80/1030040380.db2.gz OIUXMWROXVVRAO-LBPRGKRZSA-N -1 3 321.833 3.859 20 30 DHEDHM COc1ccc(OCC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000005335140 1030358124 /nfs/dbraw/zinc/35/81/24/1030358124.db2.gz KRSACJSZUIAMMO-WOJGMQOQSA-N -1 3 305.761 3.552 20 30 DHEDHM Cc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000794932545 1030378486 /nfs/dbraw/zinc/37/84/86/1030378486.db2.gz XAIILGISXASYNK-XQRVVYSFSA-N -1 3 319.263 3.783 20 30 DHEDHM CCc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1[O-] ZINC000536689273 1031392202 /nfs/dbraw/zinc/39/22/02/1031392202.db2.gz UJESNYCVFKDELF-OAHLLOKOSA-N -1 3 314.772 3.603 20 30 DHEDHM CC[C@H](CC(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845471 1031729083 /nfs/dbraw/zinc/72/90/83/1031729083.db2.gz XWGANZGLRJAUCE-OCCSQVGLSA-N -1 3 319.351 3.678 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000846538205 1032005355 /nfs/dbraw/zinc/00/53/55/1032005355.db2.gz TXBCPAIFPQIZKQ-UHFFFAOYSA-N -1 3 322.213 3.642 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000846549833 1031999241 /nfs/dbraw/zinc/99/92/41/1031999241.db2.gz ZVDFEYYCOHBHSC-YGJURIOFSA-N -1 3 317.351 3.758 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000846539854 1032005538 /nfs/dbraw/zinc/00/55/38/1032005538.db2.gz OXESEWKLHFRCJZ-LLVKDONJSA-N -1 3 301.308 3.823 20 30 DHEDHM CCO[C@H]1CCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863124989 1034001153 /nfs/dbraw/zinc/00/11/53/1034001153.db2.gz KDHDJEMBTKKXIK-ZDUSSCGKSA-N -1 3 302.403 3.649 20 30 DHEDHM CCCCNC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174123169 1034145372 /nfs/dbraw/zinc/14/53/72/1034145372.db2.gz FPJGUJWINRVFDC-UHFFFAOYSA-N -1 3 309.369 3.537 20 30 DHEDHM CC(C)CCn1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001174411472 1034398108 /nfs/dbraw/zinc/39/81/08/1034398108.db2.gz BWYWJQQZWLYGGR-UHFFFAOYSA-N -1 3 301.394 3.830 20 30 DHEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)oc1CC ZINC000128723374 1034500314 /nfs/dbraw/zinc/50/03/14/1034500314.db2.gz QVOORSZVWVLDNU-HNNXBMFYSA-N -1 3 324.380 3.674 20 30 DHEDHM CC(C)(C)OC(=O)NC1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000899230874 1034522420 /nfs/dbraw/zinc/52/24/20/1034522420.db2.gz MQLNLWOMAUWDKU-NVMNQCDNSA-N -1 3 324.808 3.522 20 30 DHEDHM O=C(Cc1ccc2ccccc2c1)N([O-])Cc1ccc(F)cc1 ZINC000899895012 1034951780 /nfs/dbraw/zinc/95/17/80/1034951780.db2.gz AKGWGEVSBLZTCW-UHFFFAOYSA-N -1 3 309.340 3.939 20 30 DHEDHM Cc1nc([N-]c2c(F)c(F)c(F)c(F)c2F)c(C#N)cc1C#N ZINC001175383387 1034962464 /nfs/dbraw/zinc/96/24/64/1034962464.db2.gz XMWVREWNQQBUGF-UHFFFAOYSA-N -1 3 324.212 3.572 20 30 DHEDHM N#Cc1cc(Nc2c(F)c(F)c(F)c(F)c2F)ccc1[O-] ZINC001175385297 1034964478 /nfs/dbraw/zinc/96/44/78/1034964478.db2.gz UXCPLIQYIJZQTC-UHFFFAOYSA-N -1 3 300.186 3.703 20 30 DHEDHM O=C([C@H]1CCCOCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181332 1035378897 /nfs/dbraw/zinc/37/88/97/1035378897.db2.gz UAJMAITUVCGPII-NSHDSACASA-N -1 3 318.200 3.528 20 30 DHEDHM O=C([C@@H]1CC[C@@H](C(F)(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904177980 1035381640 /nfs/dbraw/zinc/38/16/40/1035381640.db2.gz VJWGABOGHGSGFH-GHMZBOCLSA-N -1 3 305.271 3.522 20 30 DHEDHM O=C(c1coc(C2CCC2)n1)N([O-])Cc1ccccc1Cl ZINC000904189961 1035382885 /nfs/dbraw/zinc/38/28/85/1035382885.db2.gz DNDUIVXUEFUZIC-UHFFFAOYSA-N -1 3 306.749 3.627 20 30 DHEDHM CC(=O)OCc1cccc(Cl)c1Nc1cc(C#N)ccc1[O-] ZINC001212777626 1035387565 /nfs/dbraw/zinc/38/75/65/1035387565.db2.gz VBWGBBBRMAPKEM-UHFFFAOYSA-N -1 3 316.744 3.724 20 30 DHEDHM N#Cc1cc(NC(=O)/C=C/c2cc3ccccc3o2)ccc1[O-] ZINC001178757105 1035445824 /nfs/dbraw/zinc/44/58/24/1035445824.db2.gz LQRJMXGXFBNNSQ-SOFGYWHQSA-N -1 3 304.305 3.662 20 30 DHEDHM N#Cc1cc(NC(=O)C2CCC(C(F)(F)F)CC2)ccc1[O-] ZINC001179833376 1035509848 /nfs/dbraw/zinc/50/98/48/1035509848.db2.gz LSXBOALEEOFHES-UHFFFAOYSA-N -1 3 312.291 3.571 20 30 DHEDHM CCCCCCCOC(=O)Nc1c([O-])cccc1C(=O)OC ZINC001194009181 1035796724 /nfs/dbraw/zinc/79/67/24/1035796724.db2.gz QLXREVUYESKIFG-UHFFFAOYSA-N -1 3 309.362 3.698 20 30 DHEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C#N)c(C)cc1C ZINC001194642692 1035975745 /nfs/dbraw/zinc/97/57/45/1035975745.db2.gz LOJVXQDEJRNNQX-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccc3c(c2)CCC(=O)N3C)ccc1[O-] ZINC000774136966 1036174880 /nfs/dbraw/zinc/17/48/80/1036174880.db2.gz DGWJMYGNSWPWLS-XBXARRHUSA-N -1 3 321.376 3.506 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1 ZINC000486439324 1036254771 /nfs/dbraw/zinc/25/47/71/1036254771.db2.gz SMLTYWBDIQCQCH-UHFFFAOYSA-N -1 3 316.382 3.965 20 30 DHEDHM Cc1ccc(F)cc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001195914027 1036385380 /nfs/dbraw/zinc/38/53/80/1036385380.db2.gz IWENFGXHTJTIKT-UHFFFAOYSA-N -1 3 301.346 3.520 20 30 DHEDHM N#Cc1ccccc1NC(=S)Nc1cc([O-])ccc1Cl ZINC001196325630 1036503990 /nfs/dbraw/zinc/50/39/90/1036503990.db2.gz OIQOZSGKJLPBOM-UHFFFAOYSA-N -1 3 303.774 3.726 20 30 DHEDHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)N([O-])CCCCc1ccccc1 ZINC001184305396 1036794168 /nfs/dbraw/zinc/79/41/68/1036794168.db2.gz IEYFPPNFWFPAMZ-MSOLQXFVSA-N -1 3 317.429 3.575 20 30 DHEDHM Cc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1C ZINC001184283829 1036804518 /nfs/dbraw/zinc/80/45/18/1036804518.db2.gz RXJOSYSFHSKBGP-UHFFFAOYSA-N -1 3 303.789 3.917 20 30 DHEDHM COc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)c(C)c1 ZINC001184293075 1036806999 /nfs/dbraw/zinc/80/69/99/1036806999.db2.gz DHYISMWHZYSAMI-UHFFFAOYSA-N -1 3 319.788 3.618 20 30 DHEDHM CCC1(C(=O)Nc2ccc([O-])c(C#N)c2)CCC(F)(F)CC1 ZINC001184649997 1036920414 /nfs/dbraw/zinc/92/04/14/1036920414.db2.gz CQEXYDLSRRHISW-UHFFFAOYSA-N -1 3 308.328 3.808 20 30 DHEDHM C=C1CC(C)(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001184793267 1036954844 /nfs/dbraw/zinc/95/48/44/1036954844.db2.gz AQAVPCKEZDZHRS-UHFFFAOYSA-N -1 3 316.788 3.566 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC)cc1[O-] ZINC000763103669 1037255236 /nfs/dbraw/zinc/25/52/36/1037255236.db2.gz FUHGFNBTROAKEX-VMPITWQZSA-N -1 3 318.756 3.959 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(C)c(F)c2)c(OC)cc1[O-] ZINC000763105675 1037256871 /nfs/dbraw/zinc/25/68/71/1037256871.db2.gz NGNWNNFRGRDHBT-SREVYHEPSA-N -1 3 316.328 3.753 20 30 DHEDHM CCOc1cc(C=NNCc2cccc(F)c2)cc(Cl)c1[O-] ZINC000915965101 1037636483 /nfs/dbraw/zinc/63/64/83/1037636483.db2.gz FEPMDKQEZGJHIB-UHFFFAOYSA-N -1 3 322.767 3.707 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2nn(C)cc21 ZINC001188013282 1037785807 /nfs/dbraw/zinc/78/58/07/1037785807.db2.gz SJHNCILEOPTXSP-UHFFFAOYSA-N -1 3 323.462 3.676 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)nc(C)n1 ZINC000916880727 1038018380 /nfs/dbraw/zinc/01/83/80/1038018380.db2.gz UZHXKEQWPJYCES-KKTNHOPESA-N -1 3 311.772 3.637 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=CSc2ccccc2)nc(C)n1 ZINC000916880767 1038019877 /nfs/dbraw/zinc/01/98/77/1038019877.db2.gz XRUXQUULIMIWCL-XVJNWHFHSA-N -1 3 309.394 3.576 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)cc2)nc(C)n1 ZINC000916880725 1038020908 /nfs/dbraw/zinc/02/09/08/1038020908.db2.gz UZHXKEQWPJYCES-GTBONMDNSA-N -1 3 311.772 3.637 20 30 DHEDHM CCCCOc1ccc(NC(=O)[N-]c2onc(C)c2C#N)cc1 ZINC001189285504 1038105265 /nfs/dbraw/zinc/10/52/65/1038105265.db2.gz VXTLYWOIDQOXLZ-UHFFFAOYSA-N -1 3 314.345 3.678 20 30 DHEDHM Cc1nsc([N-]C(=O)c2coc(C3CCCCC3)n2)c1C#N ZINC000571620272 1038172814 /nfs/dbraw/zinc/17/28/14/1038172814.db2.gz TUWDHQUNCJOHPU-UHFFFAOYSA-N -1 3 316.386 3.611 20 30 DHEDHM C=C(C)Cc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001190231615 1038278112 /nfs/dbraw/zinc/27/81/12/1038278112.db2.gz JHNVLUXFUZLRAP-UHFFFAOYSA-N -1 3 309.365 3.966 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2sccc2C#N)c1C#N ZINC000068677269 1038542663 /nfs/dbraw/zinc/54/26/63/1038542663.db2.gz HCLMZPXLZDVIBT-UHFFFAOYSA-N -1 3 301.396 3.676 20 30 DHEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192340909 1038633836 /nfs/dbraw/zinc/63/38/36/1038633836.db2.gz UAWYNRPGGVYJPP-SFHVURJKSA-N -1 3 302.418 3.748 20 30 DHEDHM N#CC(=C([O-])c1cccc(Cl)n1)c1ccc2ccccc2n1 ZINC000775531223 1038657541 /nfs/dbraw/zinc/65/75/41/1038657541.db2.gz QEARWHPQMVVJKY-GFCCVEGCSA-N -1 3 307.740 3.773 20 30 DHEDHM CCCCCCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001192829896 1038704279 /nfs/dbraw/zinc/70/42/79/1038704279.db2.gz QXRCJCCGYPDYRT-UHFFFAOYSA-N -1 3 305.390 3.522 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)ccc1[O-] ZINC000057738768 1038718582 /nfs/dbraw/zinc/71/85/82/1038718582.db2.gz BGAFLFPPFCRGNY-NEXMIYJRSA-N -1 3 323.348 3.588 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc3c(c2)CCCC3)c1[O-] ZINC000761015559 1039475022 /nfs/dbraw/zinc/47/50/22/1039475022.db2.gz NJZVRVOUOTXQIZ-XIJPWPHISA-N -1 3 324.424 3.647 20 30 DHEDHM N#CC1(c2ccc(C=Cc3cc(=O)[n-]c(C4CC4)n3)cc2)CC1 ZINC000594695754 1039902786 /nfs/dbraw/zinc/90/27/86/1039902786.db2.gz IXNZBVGXTKWPCQ-BAQGIRSFSA-N -1 3 303.365 3.785 20 30 DHEDHM C[C@H](C#N)N(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000598133936 1041080220 /nfs/dbraw/zinc/08/02/20/1041080220.db2.gz UTJIUNGUPZORFQ-CYBMUJFWSA-N -1 3 322.364 3.701 20 30 DHEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442917867 338439499 /nfs/dbraw/zinc/43/94/99/338439499.db2.gz BAKLYCCNVBMPAN-ZDUSSCGKSA-N -1 3 303.280 3.832 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(OC2CCCC2)c1 ZINC000417626595 335016087 /nfs/dbraw/zinc/01/60/87/335016087.db2.gz OEDBPNRDPNPKLG-HNNXBMFYSA-N -1 3 303.402 3.517 20 30 DHEDHM C=CCOc1ccccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417628752 335018005 /nfs/dbraw/zinc/01/80/05/335018005.db2.gz WMLHDLOMQSCTQG-ROUUACIJSA-N -1 3 323.392 3.654 20 30 DHEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273502044 130129542 /nfs/dbraw/zinc/12/95/42/130129542.db2.gz QGWZJBCAQKHWBO-LBPRGKRZSA-N -1 3 323.352 3.512 20 30 DHEDHM Cc1csc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)c1C#N ZINC000288864489 131342741 /nfs/dbraw/zinc/34/27/41/131342741.db2.gz QFIUZGPNCWWLFD-UHFFFAOYSA-N -1 3 314.366 3.601 20 30 DHEDHM Cc1nsc([N-]C(=O)Nc2cc(C)c(O)c(C)c2C)c1C#N ZINC000297330895 132010454 /nfs/dbraw/zinc/01/04/54/132010454.db2.gz DJRYBFQFMFZUGI-UHFFFAOYSA-N -1 3 316.386 3.598 20 30 DHEDHM CCc1ocnc1C(=O)[N-]c1sc(C(C)(C)C)cc1C#N ZINC000297841505 132036657 /nfs/dbraw/zinc/03/66/57/132036657.db2.gz RIJBETHEOULAPC-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000172589424 332230104 /nfs/dbraw/zinc/23/01/04/332230104.db2.gz SIGFYUCZHKGXBW-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000292920768 335098134 /nfs/dbraw/zinc/09/81/34/335098134.db2.gz ZHESFDBSZSGDQF-LLVKDONJSA-N -1 3 301.333 3.690 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cscn1 ZINC000108240410 333174132 /nfs/dbraw/zinc/17/41/32/333174132.db2.gz JWKKPGMKZHCJRJ-SNVBAGLBSA-N -1 3 303.412 3.647 20 30 DHEDHM C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)c2c([O-])cccc21 ZINC000186257156 333218030 /nfs/dbraw/zinc/21/80/30/333218030.db2.gz HCFQRYVFFXWMJZ-CYBMUJFWSA-N -1 3 306.365 3.612 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000410978396 333615786 /nfs/dbraw/zinc/61/57/86/333615786.db2.gz LEJGUZGYJMEPDK-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM C[C@H](C#N)CN(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273522505 334048297 /nfs/dbraw/zinc/04/82/97/334048297.db2.gz QQZDSEVNOVLVLY-OAHLLOKOSA-N -1 3 310.397 3.563 20 30 DHEDHM [O-]c1cc(F)cc(CN(CCC(F)(F)F)CC(F)(F)F)c1 ZINC000280534292 334118167 /nfs/dbraw/zinc/11/81/67/334118167.db2.gz RYFHBNDZOBZQLP-UHFFFAOYSA-N -1 3 319.220 3.848 20 30 DHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cncs1 ZINC000340108289 334128157 /nfs/dbraw/zinc/12/81/57/334128157.db2.gz JOBAZKVMPOOMLM-SNVBAGLBSA-N -1 3 303.412 3.790 20 30 DHEDHM N#CC1CCC(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000282229524 334132597 /nfs/dbraw/zinc/13/25/97/334132597.db2.gz IKWSVYLNPXTREZ-UHFFFAOYSA-N -1 3 308.381 3.605 20 30 DHEDHM C=C(C)[C@@H](CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)OCC ZINC000534495101 334277480 /nfs/dbraw/zinc/27/74/80/334277480.db2.gz UDIQDGYNNDSYQC-CYBMUJFWSA-N -1 3 317.307 3.721 20 30 DHEDHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnccc1C#N ZINC000342041171 334508652 /nfs/dbraw/zinc/50/86/52/334508652.db2.gz IICNAEMXRNCQNT-UHFFFAOYSA-N -1 3 317.801 3.971 20 30 DHEDHM Cc1ccc([O-])c(NC(=O)c2coc(C3CCCCC3)n2)n1 ZINC000328727847 334753810 /nfs/dbraw/zinc/75/38/10/334753810.db2.gz DKSUPYJTZOMJSO-UHFFFAOYSA-N -1 3 301.346 3.768 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000330558982 334789889 /nfs/dbraw/zinc/78/98/89/334789889.db2.gz REZJFZHLAPRKTJ-CJNGLKHVSA-N -1 3 305.418 3.853 20 30 DHEDHM C=CCN(Cc1cccs1)C(=O)c1cc([O-])ccc1Cl ZINC000351802415 336067810 /nfs/dbraw/zinc/06/78/10/336067810.db2.gz ITOXDADUOXXLII-UHFFFAOYSA-N -1 3 307.802 3.936 20 30 DHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000351776072 336068594 /nfs/dbraw/zinc/06/85/94/336068594.db2.gz XYKXBGJJTUGQAQ-UHFFFAOYSA-N -1 3 323.377 3.743 20 30 DHEDHM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1csc(=O)[n-]1)CC2 ZINC000329949838 336098920 /nfs/dbraw/zinc/09/89/20/336098920.db2.gz BXEDRVFMAKPBCC-ZDUSSCGKSA-N -1 3 302.399 3.964 20 30 DHEDHM N#Cc1c(F)ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC000352021812 336189708 /nfs/dbraw/zinc/18/97/08/336189708.db2.gz REVFLNVFGPKXDE-HWKANZROSA-N -1 3 315.735 3.894 20 30 DHEDHM COc1cc(C(=O)N[C@H](CCCC#N)c2ccccc2)ccc1[O-] ZINC000352217960 336203769 /nfs/dbraw/zinc/20/37/69/336203769.db2.gz KSABKNWEWKQQHF-MRXNPFEDSA-N -1 3 324.380 3.566 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(C(F)F)c2)nc(C)n1 ZINC000352697845 336231027 /nfs/dbraw/zinc/23/10/27/336231027.db2.gz JIBPVWMLDJYHGD-ZDUSSCGKSA-N -1 3 301.296 3.521 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000356822827 336562044 /nfs/dbraw/zinc/56/20/44/336562044.db2.gz OUYZCBFCPKYVPA-UHFFFAOYSA-N -1 3 315.398 3.828 20 30 DHEDHM N#Cc1ccccc1SCc1noc(-c2ccccc2[O-])n1 ZINC000377874673 337063130 /nfs/dbraw/zinc/06/31/30/337063130.db2.gz PORGRQPNRIHAEE-UHFFFAOYSA-N -1 3 309.350 3.606 20 30 DHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000182405960 337188287 /nfs/dbraw/zinc/18/82/87/337188287.db2.gz IHKHKAZPVIFSNU-LBPRGKRZSA-N -1 3 312.394 3.896 20 30 DHEDHM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426677109 338037844 /nfs/dbraw/zinc/03/78/44/338037844.db2.gz JHSKXYGXVBDXOZ-MRXNPFEDSA-N -1 3 317.410 3.619 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000152912335 338214124 /nfs/dbraw/zinc/21/41/24/338214124.db2.gz HHOIWXYBFONGEZ-UHFFFAOYSA-N -1 3 312.197 3.506 20 30 DHEDHM N#Cc1ccnc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000436012556 338255700 /nfs/dbraw/zinc/25/57/00/338255700.db2.gz JOGGELVJEWYAFG-UHFFFAOYSA-N -1 3 324.727 3.514 20 30 DHEDHM Cc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000436544877 338276234 /nfs/dbraw/zinc/27/62/34/338276234.db2.gz LGJHVRFABZDRBW-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM Cc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c([O-])c1C ZINC000436550832 338276787 /nfs/dbraw/zinc/27/67/87/338276787.db2.gz VMMQTIJLQHTBTC-HNNXBMFYSA-N -1 3 314.772 3.657 20 30 DHEDHM Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c([O-])c1C ZINC000436757133 338285832 /nfs/dbraw/zinc/28/58/32/338285832.db2.gz GUTQZQCQRANGMN-UHFFFAOYSA-N -1 3 320.392 3.686 20 30 DHEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(CC)cc1[O-] ZINC000436798647 338287755 /nfs/dbraw/zinc/28/77/55/338287755.db2.gz LXMOEKHDSWBMPW-UHFFFAOYSA-N -1 3 301.411 3.845 20 30 DHEDHM Cc1cccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1[O-] ZINC000436923226 338293612 /nfs/dbraw/zinc/29/36/12/338293612.db2.gz BKHPOOJAXXPINI-QGZVFWFLSA-N -1 3 308.381 3.866 20 30 DHEDHM C=CC[C@@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436976566 338296439 /nfs/dbraw/zinc/29/64/39/338296439.db2.gz BYSMIPLCVWWWGV-CQSZACIVSA-N -1 3 311.381 3.666 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2ccc(C(C)=O)o2)c1C#N ZINC000447343909 338550102 /nfs/dbraw/zinc/55/01/02/338550102.db2.gz QRXMBUVCRXMGRV-UHFFFAOYSA-N -1 3 302.355 3.539 20 30 DHEDHM C[C@H](C#N)CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000450220532 338671900 /nfs/dbraw/zinc/67/19/00/338671900.db2.gz IWLBJRZPVOHVSI-CQSZACIVSA-N -1 3 322.408 3.629 20 30 DHEDHM CCOc1ccc(C=Nc2cccc(NC(=O)OC)c2)c([O-])c1 ZINC000490710930 339838186 /nfs/dbraw/zinc/83/81/86/339838186.db2.gz YVPKGZDUGUEAHM-UHFFFAOYSA-N -1 3 314.341 3.720 20 30 DHEDHM C=CCON=C([O-])Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000497080927 340019828 /nfs/dbraw/zinc/01/98/28/340019828.db2.gz UVMFPJSSLSIODK-UHFFFAOYSA-N -1 3 321.377 3.581 20 30 DHEDHM C=CCO[N-]C(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000497080927 340019829 /nfs/dbraw/zinc/01/98/29/340019829.db2.gz UVMFPJSSLSIODK-UHFFFAOYSA-N -1 3 321.377 3.581 20 30 DHEDHM C=CCC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000504894415 340154999 /nfs/dbraw/zinc/15/49/99/340154999.db2.gz LNWMPAGNPZLGSQ-UHFFFAOYSA-N -1 3 303.280 3.832 20 30 DHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc([O-])c2)cc1 ZINC000509142435 340262290 /nfs/dbraw/zinc/26/22/90/340262290.db2.gz WSHGCUWZZXYIBU-KRWDZBQOSA-N -1 3 308.381 3.684 20 30 DHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(Cl)c1 ZINC000235910507 340661850 /nfs/dbraw/zinc/66/18/50/340661850.db2.gz HMUOGCRMPYPKGS-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(C3CCC3)c2)nc(C)n1 ZINC000545266036 341118262 /nfs/dbraw/zinc/11/82/62/341118262.db2.gz DOSFKBVYTKCUQQ-KRWDZBQOSA-N -1 3 305.381 3.851 20 30 DHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000546764297 341181856 /nfs/dbraw/zinc/18/18/56/341181856.db2.gz DGVDQXZPBOBLCY-SNVBAGLBSA-N -1 3 308.230 3.626 20 30 DHEDHM N#C[C@H]([N-]C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 ZINC000159323389 341695979 /nfs/dbraw/zinc/69/59/79/341695979.db2.gz QGDVFGCRNUCRJM-ZDUSSCGKSA-N -1 3 324.689 3.752 20 30 DHEDHM C[C@H](SCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191009 599330644 /nfs/dbraw/zinc/33/06/44/599330644.db2.gz VGMNYCRBQIBTRA-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](SCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191009 599330647 /nfs/dbraw/zinc/33/06/47/599330647.db2.gz VGMNYCRBQIBTRA-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000827716765 601297185 /nfs/dbraw/zinc/29/71/85/601297185.db2.gz AUSDMTYKVBYCIH-ZBEGNZNMSA-N -1 3 314.772 3.688 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)s1 ZINC000822922234 606388116 /nfs/dbraw/zinc/38/81/16/606388116.db2.gz DTNDRFFZWGBKFA-HNQUOIGGSA-N -1 3 322.802 3.539 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000826305123 608318244 /nfs/dbraw/zinc/31/82/44/608318244.db2.gz LNGJEXOGGMPVPH-GARZTLJTSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000826305124 608318295 /nfs/dbraw/zinc/31/82/95/608318295.db2.gz LNGJEXOGGMPVPH-SEEODLKFSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000826305122 608318426 /nfs/dbraw/zinc/31/84/26/608318426.db2.gz LNGJEXOGGMPVPH-AAIQCTMTSA-N -1 3 322.393 3.620 20 30 DHEDHM CC(C)CCCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824401555 608535553 /nfs/dbraw/zinc/53/55/53/608535553.db2.gz QHVJTRNYTGGWFP-UHFFFAOYSA-N -1 3 321.816 3.529 20 30 DHEDHM CC(C)CCCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824401555 608535554 /nfs/dbraw/zinc/53/55/54/608535554.db2.gz QHVJTRNYTGGWFP-UHFFFAOYSA-N -1 3 321.816 3.529 20 30 DHEDHM C[C@@H]1CC(=Cc2ccccc2-c2nnn[n-]2)C(=O)c2ccccc21 ZINC000824859214 946952263 /nfs/dbraw/zinc/95/22/63/946952263.db2.gz OAHIHIKWOAJMIP-SLQMCABGSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2ccccc2-c2nn[n-]n2)C(=O)c2ccccc21 ZINC000824859214 946952270 /nfs/dbraw/zinc/95/22/70/946952270.db2.gz OAHIHIKWOAJMIP-SLQMCABGSA-N -1 3 316.364 3.640 20 30 DHEDHM CC(C)c1cccc(Nc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001574419377 948783393 /nfs/dbraw/zinc/78/33/93/948783393.db2.gz DTZYRXNPULEROC-UHFFFAOYSA-N -1 3 304.357 3.605 20 30 DHEDHM CC(C)c1cccc(Nc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001574419377 948783406 /nfs/dbraw/zinc/78/34/06/948783406.db2.gz DTZYRXNPULEROC-UHFFFAOYSA-N -1 3 304.357 3.605 20 30 DHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1occc1-c1ccccc1 ZINC000078312908 1013510302 /nfs/dbraw/zinc/51/03/02/1013510302.db2.gz HKNOUYKEJDVBCX-UHFFFAOYSA-N -1 3 322.246 3.720 20 30 DHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1occc1-c1ccccc1 ZINC000078312908 1013510308 /nfs/dbraw/zinc/51/03/08/1013510308.db2.gz HKNOUYKEJDVBCX-UHFFFAOYSA-N -1 3 322.246 3.720 20 30 DHEDHM N#Cc1cccc(Br)c1Nc1cccc(F)c1[O-] ZINC001210199323 1013657797 /nfs/dbraw/zinc/65/77/97/1013657797.db2.gz DQMPTOYEHODMHX-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM C=CCN(CCC(C)(C)C(=O)[O-])Cc1ccc(Cl)s1 ZINC000902073393 980721226 /nfs/dbraw/zinc/72/12/26/980721226.db2.gz YRTBDGDHHHDLHF-UHFFFAOYSA-N -1 3 301.839 3.890 20 30 DHEDHM C=CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000521337721 1014687643 /nfs/dbraw/zinc/68/76/43/1014687643.db2.gz CNBIPNUVIBFBEQ-UHFFFAOYSA-N -1 3 303.745 3.863 20 30 DHEDHM CC(C)(C)[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001589732041 987953308 /nfs/dbraw/zinc/95/33/08/987953308.db2.gz FLPITHANGCPSMN-OAHLLOKOSA-N -1 3 314.429 3.905 20 30 DHEDHM N#CC1(C(=O)Nc2ccc(Br)cc2[O-])CCCCC1 ZINC000098116574 1015579280 /nfs/dbraw/zinc/57/92/80/1015579280.db2.gz MYPGQPZZXSLJJM-UHFFFAOYSA-N -1 3 323.190 3.567 20 30 DHEDHM COc1cc2c(c(/C=C/C(=O)c3ccc([O-])c(C)c3)c1)O[C@@H](C)C2 ZINC000728439912 1016161006 /nfs/dbraw/zinc/16/10/06/1016161006.db2.gz HEMGYTFCSOIFBB-IYNGYCSASA-N -1 3 324.376 3.929 20 30 DHEDHM C=C(Cl)C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000864518257 1034370852 /nfs/dbraw/zinc/37/08/52/1034370852.db2.gz FIQJFZGLINSQHM-LLVKDONJSA-N -1 3 308.592 3.679 20 30 DHEDHM CO[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C12CCC2 ZINC000840710426 1016972621 /nfs/dbraw/zinc/97/26/21/1016972621.db2.gz JINQEZFAALPCPM-SBPAGBPSSA-N -1 3 324.218 3.531 20 30 DHEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000119044180 1032258916 /nfs/dbraw/zinc/25/89/16/1032258916.db2.gz ICBLLMPLYIANCA-OAHLLOKOSA-N -1 3 322.408 3.605 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc([C@@H]3C[C@@H]3C)o2)nc(C)n1 ZINC000049405399 1011897822 /nfs/dbraw/zinc/89/78/22/1011897822.db2.gz MIPCPJKNGDJDCA-CLMWKSIASA-N -1 3 321.380 3.700 20 30 DHEDHM C[S@@](=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255013935 1012887475 /nfs/dbraw/zinc/88/74/75/1012887475.db2.gz BEWGQKOGHWFMSS-HXUWFJFHSA-N -1 3 307.802 3.675 20 30 DHEDHM CCOc1cc(C=NNCc2cccc(C)c2)cc(Cl)c1[O-] ZINC000764716371 1018354756 /nfs/dbraw/zinc/35/47/56/1018354756.db2.gz XBAIFAXCELZTCG-UHFFFAOYSA-N -1 3 318.804 3.876 20 30 DHEDHM O=C([C@@H]1CCC(F)(F)C1)N([O-])Cc1cccc2ccccc21 ZINC000900094054 1019101446 /nfs/dbraw/zinc/10/14/46/1019101446.db2.gz GLASWRJJNCWDDP-CYBMUJFWSA-N -1 3 305.324 3.993 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(C(C)(C)C)n2)s1 ZINC000875204323 1032809156 /nfs/dbraw/zinc/80/91/56/1032809156.db2.gz DWMIROYRSMTXAG-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000727778763 1019780445 /nfs/dbraw/zinc/78/04/45/1019780445.db2.gz RCCZLVBASIDROS-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM CC(=NN=c1[nH]c2ccccc2s1)c1ccc([O-])cc1F ZINC000729931624 1019925138 /nfs/dbraw/zinc/92/51/38/1019925138.db2.gz PECLJLINAKEOSJ-UHFFFAOYSA-N -1 3 301.346 3.977 20 30 DHEDHM CC(C)n1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cn1 ZINC000732714140 1020271424 /nfs/dbraw/zinc/27/14/24/1020271424.db2.gz NBJOGLJMNJCYIM-PQTFEYQYSA-N -1 3 300.333 3.692 20 30 DHEDHM Cc1ccc(Br)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255714863 1020333665 /nfs/dbraw/zinc/33/36/65/1020333665.db2.gz KIIYGZCDWWPZGF-UHFFFAOYSA-N -1 3 322.158 3.625 20 30 DHEDHM Cc1ccc(C(F)(F)F)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255865263 1020550212 /nfs/dbraw/zinc/55/02/12/1020550212.db2.gz VBEBCZRQDBCIDS-UHFFFAOYSA-N -1 3 311.259 3.881 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(F)cc2Cl)c1[O-] ZINC000735978982 1020781991 /nfs/dbraw/zinc/78/19/91/1020781991.db2.gz RTNUTVAXEIHERH-FUGUBPHRSA-N -1 3 322.767 3.561 20 30 DHEDHM O=C1c2cccc([O-])c2C/C1=C\c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739423734 1020908240 /nfs/dbraw/zinc/90/82/40/1020908240.db2.gz CFYNIDNYJQFXHV-UXBLZVDNSA-N -1 3 315.712 3.776 20 30 DHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)ccc1OC(C)C ZINC000659030584 1021123570 /nfs/dbraw/zinc/12/35/70/1021123570.db2.gz QOKZBFLGZZKRAT-MRXNPFEDSA-N -1 3 322.364 3.561 20 30 DHEDHM C=CCOc1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000742864552 1021177030 /nfs/dbraw/zinc/17/70/30/1021177030.db2.gz RSOFAHFCPBURHC-UHFFFAOYSA-N -1 3 324.336 3.762 20 30 DHEDHM C=CCOc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000742864552 1021177034 /nfs/dbraw/zinc/17/70/34/1021177034.db2.gz RSOFAHFCPBURHC-UHFFFAOYSA-N -1 3 324.336 3.762 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2ccc(C(F)(F)F)cc2)c1C#N ZINC001202402041 1021251635 /nfs/dbraw/zinc/25/16/35/1021251635.db2.gz BXJICDQNHLCYQO-UHFFFAOYSA-N -1 3 310.235 3.518 20 30 DHEDHM Cc1sc([N-]C(=O)c2coc(C3CCC3)n2)c(C#N)c1C ZINC000618073299 1021265828 /nfs/dbraw/zinc/26/58/28/1021265828.db2.gz FNWSVITYDZRNOD-UHFFFAOYSA-N -1 3 301.371 3.744 20 30 DHEDHM CC(=CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccco1 ZINC000851108424 1021740401 /nfs/dbraw/zinc/74/04/01/1021740401.db2.gz CSCSJPBDHMZXHG-WCRPCQDQSA-N -1 3 319.360 3.693 20 30 DHEDHM CCCCCCCCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000919812493 1021914287 /nfs/dbraw/zinc/91/42/87/1021914287.db2.gz LATQMWKCYKUJGO-UHFFFAOYSA-N -1 3 320.433 3.831 20 30 DHEDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sccc2C#N)c1 ZINC000024466884 1022031055 /nfs/dbraw/zinc/03/10/55/1022031055.db2.gz HZBFKWPNFSUFQG-UHFFFAOYSA-N -1 3 319.367 3.502 20 30 DHEDHM Cc1cc(=O)[n-]c(N=NC(C)[C@@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000920359225 1022108196 /nfs/dbraw/zinc/10/81/96/1022108196.db2.gz JAYJZAQPITUNTR-STQMWFEESA-N -1 3 316.792 3.736 20 30 DHEDHM Cc1nc(C#N)c([N-]c2c(F)cc(F)c(OC(C)C)c2F)o1 ZINC001212643909 1033033778 /nfs/dbraw/zinc/03/37/78/1033033778.db2.gz KPNRMUGNNFNRTM-UHFFFAOYSA-N -1 3 311.263 3.803 20 30 DHEDHM CCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)no1 ZINC000887638061 1033041024 /nfs/dbraw/zinc/04/10/24/1033041024.db2.gz KGGZHHAMZAPZMG-UHFFFAOYSA-N -1 3 315.398 3.691 20 30 DHEDHM CN1CCc2c(C#N)c(Nc3ccc(Cl)c([O-])c3)sc2C1 ZINC001212588436 1022350493 /nfs/dbraw/zinc/35/04/93/1022350493.db2.gz PRYFQMMEPLONKN-UHFFFAOYSA-N -1 3 319.817 3.710 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000179484195 1022452748 /nfs/dbraw/zinc/45/27/48/1022452748.db2.gz CKLMPNHMNHCDNQ-UHFFFAOYSA-N -1 3 308.381 3.824 20 30 DHEDHM Cc1cc(C#N)ccc1CO[N-]C(=O)CCC1CCCCC1 ZINC000776746521 1022484430 /nfs/dbraw/zinc/48/44/30/1022484430.db2.gz UTVGTOWVUCHKJW-UHFFFAOYSA-N -1 3 300.402 3.775 20 30 DHEDHM C=CCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000337539739 1033058915 /nfs/dbraw/zinc/05/89/15/1033058915.db2.gz YCPHJEMEHUKGQU-HNNXBMFYSA-N -1 3 324.359 3.534 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2coc(C3CC3)n2)c1C#N ZINC000776827818 1022682342 /nfs/dbraw/zinc/68/23/42/1022682342.db2.gz ZRMLHXNKSRMZNY-UHFFFAOYSA-N -1 3 301.371 3.608 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1C ZINC000768168555 1022909984 /nfs/dbraw/zinc/90/99/84/1022909984.db2.gz UKUHOPZRYNLKTG-ZDUSSCGKSA-N -1 3 316.744 3.511 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(Cl)ccc2F)s1 ZINC000759853680 1023140617 /nfs/dbraw/zinc/14/06/17/1023140617.db2.gz JDVSFCLCWLGZSY-UHFFFAOYSA-N -1 3 309.753 3.622 20 30 DHEDHM CC(=NNc1ccnc(Br)c1)c1cc(F)ccc1[O-] ZINC000769811857 1023220111 /nfs/dbraw/zinc/22/01/11/1023220111.db2.gz CZFSKNDTJYFKSB-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM CCOC(=O)C1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000790099891 1024222047 /nfs/dbraw/zinc/22/20/47/1024222047.db2.gz RKLNNOGCXXIEJO-VCHYOVAHSA-N -1 3 309.793 3.588 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)ccc2C)c1[O-] ZINC001295840975 1024407671 /nfs/dbraw/zinc/40/76/71/1024407671.db2.gz OOSQTZXLMFGIHK-UHFFFAOYSA-N -1 3 300.745 3.786 20 30 DHEDHM CC[C@@H](C)CON=Cc1ccc(OC)c([O-])c1Br ZINC000793159683 1024907802 /nfs/dbraw/zinc/90/78/02/1024907802.db2.gz QLLGSSSJVLQBIS-SECBINFHSA-N -1 3 316.195 3.560 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3nccc(C)c3c2)n1 ZINC000353415422 1025056576 /nfs/dbraw/zinc/05/65/76/1025056576.db2.gz ICUPKTQYXPLUNY-AWEZNQCLSA-N -1 3 307.378 3.798 20 30 DHEDHM Cc1ccc(-c2cncc(C([O-])=C(C#N)c3ccccn3)c2)cc1 ZINC000124515121 1025432382 /nfs/dbraw/zinc/43/23/82/1025432382.db2.gz ABQFBYQTMCKGFL-SFHVURJKSA-N -1 3 313.360 3.942 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCCC1(F)F ZINC000806550375 1025908517 /nfs/dbraw/zinc/90/85/17/1025908517.db2.gz BVSACTQAYYNYJQ-FQKZPNAISA-N -1 3 304.134 3.761 20 30 DHEDHM C[C@@H](C#N)Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000806564974 1025926495 /nfs/dbraw/zinc/92/64/95/1025926495.db2.gz XJOAVSRKMWIOAM-YGOPWGPOSA-N -1 3 307.353 3.521 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CCCc1ccccn1 ZINC000178764125 1026046979 /nfs/dbraw/zinc/04/69/79/1026046979.db2.gz UUPADFKEZKCWRJ-GZTJUZNOSA-N -1 3 319.202 3.601 20 30 DHEDHM COc1ccc2c(c1F)C/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000809156234 1026470156 /nfs/dbraw/zinc/47/01/56/1026470156.db2.gz JYMRGAAYPBQPLV-FPLPWBNLSA-N -1 3 320.266 3.641 20 30 DHEDHM N#CCSCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395206 1026991708 /nfs/dbraw/zinc/99/17/08/1026991708.db2.gz ZFPFHUFHANLIMN-UHFFFAOYSA-N -1 3 314.819 3.686 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(C(C)C)s3)nc21 ZINC000448315614 1027724920 /nfs/dbraw/zinc/72/49/20/1027724920.db2.gz GESBHBPXMPJOKK-LLVKDONJSA-N -1 3 324.409 3.941 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(OC)cc1C(F)(F)F ZINC000815255605 1028439892 /nfs/dbraw/zinc/43/98/92/1028439892.db2.gz ZMIQSDOTJKPKST-UHFFFAOYSA-N -1 3 323.261 3.542 20 30 DHEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001138014771 1028562212 /nfs/dbraw/zinc/56/22/12/1028562212.db2.gz BJLASQDAHHTXTK-UONOGXRCSA-N -1 3 312.756 3.659 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2csc3c2CCCC3)nc(C)n1 ZINC000041574673 1028758464 /nfs/dbraw/zinc/75/84/64/1028758464.db2.gz MWMSHHFBMRLZBN-CYBMUJFWSA-N -1 3 311.410 3.524 20 30 DHEDHM CCCCCCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000043260808 1029186537 /nfs/dbraw/zinc/18/65/37/1029186537.db2.gz XZNQDSLPPWVDSB-UHFFFAOYSA-N -1 3 300.402 3.618 20 30 DHEDHM Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190909827 1029209154 /nfs/dbraw/zinc/20/91/54/1029209154.db2.gz AMMMXYRCNYOKGB-HNNXBMFYSA-N -1 3 301.349 3.737 20 30 DHEDHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1(C)C ZINC000043997187 1029302096 /nfs/dbraw/zinc/30/20/96/1029302096.db2.gz BFZOIYYXQCVDSD-SFYZADRCSA-N -1 3 302.300 3.650 20 30 DHEDHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1(C)C ZINC000043997187 1029302112 /nfs/dbraw/zinc/30/21/12/1029302112.db2.gz BFZOIYYXQCVDSD-SFYZADRCSA-N -1 3 302.300 3.650 20 30 DHEDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1(C)C ZINC000043997184 1029303161 /nfs/dbraw/zinc/30/31/61/1029303161.db2.gz BFZOIYYXQCVDSD-JGVFFNPUSA-N -1 3 302.300 3.650 20 30 DHEDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1(C)C ZINC000043997184 1029303169 /nfs/dbraw/zinc/30/31/69/1029303169.db2.gz BFZOIYYXQCVDSD-JGVFFNPUSA-N -1 3 302.300 3.650 20 30 DHEDHM COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c(F)c1 ZINC000794930605 1030392057 /nfs/dbraw/zinc/39/20/57/1030392057.db2.gz GNGKRYOYOZCLFE-XQRVVYSFSA-N -1 3 308.255 3.714 20 30 DHEDHM COc1ccc2c(c1)C(=O)/C(=C/c1c(F)ccc([O-])c1F)C2 ZINC000794941278 1030422753 /nfs/dbraw/zinc/42/27/53/1030422753.db2.gz MYIXUOWPRZPFDA-JXMROGBWSA-N -1 3 302.276 3.501 20 30 DHEDHM CC(=O)Nc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794945811 1030433796 /nfs/dbraw/zinc/43/37/96/1030433796.db2.gz PJXCKJZBPTZDOB-SOFGYWHQSA-N -1 3 317.291 3.525 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871596836 1031241965 /nfs/dbraw/zinc/24/19/65/1031241965.db2.gz FHRMAVAHYOJVCW-GVJXXNEJSA-N -1 3 324.218 3.531 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000844655179 1031272414 /nfs/dbraw/zinc/27/24/14/1031272414.db2.gz YKQIFCFSTICXEN-WDEREUQCSA-N -1 3 309.435 3.676 20 30 DHEDHM Cc1ccc([C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)o1 ZINC000845840761 1031740935 /nfs/dbraw/zinc/74/09/35/1031740935.db2.gz FJLDKLQNUPUFPL-HOCLYGCPSA-N -1 3 321.376 3.701 20 30 DHEDHM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195355 1031783673 /nfs/dbraw/zinc/78/36/73/1031783673.db2.gz ZTKGMXCZFAXSKL-DGCLKSJQSA-N -1 3 321.384 3.529 20 30 DHEDHM CO[C@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125176 1034000052 /nfs/dbraw/zinc/00/00/52/1034000052.db2.gz OYBWXOWPCIARMG-NSHDSACASA-N -1 3 302.403 3.649 20 30 DHEDHM CCC(N=Nc1nc2ccccc2[n-]c1=S)C1CCOCC1 ZINC000863127920 1034003532 /nfs/dbraw/zinc/00/35/32/1034003532.db2.gz AXAQAEAOFNQESZ-UHFFFAOYSA-N -1 3 316.430 3.897 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NC[C@H]1CCCOCC1 ZINC000863125575 1034003639 /nfs/dbraw/zinc/00/36/39/1034003639.db2.gz ZSLHUTNQIKCPAB-NSHDSACASA-N -1 3 302.403 3.507 20 30 DHEDHM COC(=O)c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000863950928 1034229673 /nfs/dbraw/zinc/22/96/73/1034229673.db2.gz WBPVEPTUENODSF-UHFFFAOYSA-N -1 3 307.708 3.722 20 30 DHEDHM COc1ccc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2c1 ZINC000794677613 1034338776 /nfs/dbraw/zinc/33/87/76/1034338776.db2.gz WGUNSUZMNAHRJM-UHFFFAOYSA-N -1 3 309.321 3.716 20 30 DHEDHM CC(C)(C)OC(=O)NC1(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000899230873 1034522591 /nfs/dbraw/zinc/52/25/91/1034522591.db2.gz MQLNLWOMAUWDKU-GIJQJNRQSA-N -1 3 324.808 3.522 20 30 DHEDHM N#Cc1cc(Nc2c(F)ccc([O-])c2F)ccc1N1CCCC1 ZINC001175268825 1034916805 /nfs/dbraw/zinc/91/68/05/1034916805.db2.gz XUQDRYFNUPWEJA-UHFFFAOYSA-N -1 3 315.323 3.886 20 30 DHEDHM O=C([C@@H]1COc2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC000899895275 1034951457 /nfs/dbraw/zinc/95/14/57/1034951457.db2.gz OQFTYSPDUPPNTD-GOSISDBHSA-N -1 3 319.360 3.734 20 30 DHEDHM COc1ncc([N-]c2nc(-c3ccc(C#N)s3)cs2)s1 ZINC001175392415 1034966534 /nfs/dbraw/zinc/96/65/34/1034966534.db2.gz JLYNWXZFNYVTMW-UHFFFAOYSA-N -1 3 320.424 3.952 20 30 DHEDHM N#Cc1cc(F)cc(Nc2ccc([O-])c(Br)c2)c1 ZINC001175685066 1035084744 /nfs/dbraw/zinc/08/47/44/1035084744.db2.gz ITBYQKVWFQSHCP-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1cc(Nc2ccc(Br)cc2[O-])ccc1F ZINC001176615243 1035301673 /nfs/dbraw/zinc/30/16/73/1035301673.db2.gz BEWSZDUBFHRZTJ-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1cc(NC(=O)CCCCc2cccs2)ccc1[O-] ZINC001177489007 1035373438 /nfs/dbraw/zinc/37/34/38/1035373438.db2.gz NVZIMMYOCXIUPP-UHFFFAOYSA-N -1 3 300.383 3.677 20 30 DHEDHM C[C@@]1(CC(=O)N([O-])Cc2ccc(F)cc2)CC1(Cl)Cl ZINC000904177577 1035381960 /nfs/dbraw/zinc/38/19/60/1035381960.db2.gz IAKRCRLSGJPJHZ-GFCCVEGCSA-N -1 3 306.164 3.518 20 30 DHEDHM C=CCCOCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904190153 1035382661 /nfs/dbraw/zinc/38/26/61/1035382661.db2.gz IKZYJTRHTWVRLV-UHFFFAOYSA-N -1 3 311.809 3.821 20 30 DHEDHM O=C(CCCC1CCOCC1)N([O-])Cc1ccccc1Cl ZINC000904193288 1035383551 /nfs/dbraw/zinc/38/35/51/1035383551.db2.gz NGPWGHRLVNEFPX-UHFFFAOYSA-N -1 3 311.809 3.655 20 30 DHEDHM O=C([C@@H]1CCCC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC000904192838 1035383837 /nfs/dbraw/zinc/38/38/37/1035383837.db2.gz CWYLEDMRRZFDAQ-SNVBAGLBSA-N -1 3 303.736 3.883 20 30 DHEDHM C#CCN(C(=O)c1ccccc1[O-])[C@@H]1CCCc2ccccc21 ZINC001178953550 1035457369 /nfs/dbraw/zinc/45/73/69/1035457369.db2.gz FIKRLXBAFHGTFX-GOSISDBHSA-N -1 3 305.377 3.545 20 30 DHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2cccc(Cl)c2)cc1 ZINC001193151971 1035578175 /nfs/dbraw/zinc/57/81/75/1035578175.db2.gz XROMKCHXAPARHN-NSHDSACASA-N -1 3 320.801 3.661 20 30 DHEDHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ncc1C#N ZINC000457781408 1035633329 /nfs/dbraw/zinc/63/33/29/1035633329.db2.gz UMYDXTZRCKIBBU-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM N#Cc1cc(C(=O)N2CCCc3cccc([O-])c32)ccc1Cl ZINC000539816059 1035872823 /nfs/dbraw/zinc/87/28/23/1035872823.db2.gz DASPEULNDQGDOT-UHFFFAOYSA-N -1 3 312.756 3.510 20 30 DHEDHM CC(C)(O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000773908149 1035876757 /nfs/dbraw/zinc/87/67/57/1035876757.db2.gz VOWBHHFPDYARQV-YBFXNURJSA-N -1 3 303.789 3.892 20 30 DHEDHM C=C(C)COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OC ZINC000486123500 1036138293 /nfs/dbraw/zinc/13/82/93/1036138293.db2.gz GVAOZYSLHZUWSU-VURMDHGXSA-N -1 3 312.369 3.625 20 30 DHEDHM C[C@@H](C/N=C/c1cc(Cl)ccc1[O-])N1CCc2ccccc21 ZINC000914701950 1036252086 /nfs/dbraw/zinc/25/20/86/1036252086.db2.gz SNTFVQITRQVSLB-DZUMZMOTSA-N -1 3 314.816 3.916 20 30 DHEDHM Cc1ccc2c(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)coc2c1 ZINC000072673393 1036606159 /nfs/dbraw/zinc/60/61/59/1036606159.db2.gz DLXSNDYRMUAMMU-UHFFFAOYSA-N -1 3 324.262 3.709 20 30 DHEDHM Cc1ccc2c(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)coc2c1 ZINC000072673393 1036606168 /nfs/dbraw/zinc/60/61/68/1036606168.db2.gz DLXSNDYRMUAMMU-UHFFFAOYSA-N -1 3 324.262 3.709 20 30 DHEDHM CCc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)ccc1C#N ZINC001197293207 1036744496 /nfs/dbraw/zinc/74/44/96/1036744496.db2.gz WLIOWXLSYSGXLU-UHFFFAOYSA-N -1 3 300.745 3.732 20 30 DHEDHM Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1nncs1 ZINC000030560151 1036755103 /nfs/dbraw/zinc/75/51/03/1036755103.db2.gz ARVYWNPEIDISLG-UHFFFAOYSA-N -1 3 316.411 3.530 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cc(OC)ccc1OC ZINC001184305767 1036793831 /nfs/dbraw/zinc/79/38/31/1036793831.db2.gz QGBLQOVMNAXTBS-GDBMZVCRSA-N -1 3 321.417 3.605 20 30 DHEDHM Cc1nc(C)c(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC001184293273 1036806762 /nfs/dbraw/zinc/80/67/62/1036806762.db2.gz MJJJAKSSLRUXES-UHFFFAOYSA-N -1 3 304.415 3.614 20 30 DHEDHM CC(C)CCO[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293068 1036808110 /nfs/dbraw/zinc/80/81/10/1036808110.db2.gz CYIAJIYVAYEWPG-MRXNPFEDSA-N -1 3 307.434 3.678 20 30 DHEDHM Cc1c(Cl)cccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001184682781 1036937573 /nfs/dbraw/zinc/93/75/73/1036937573.db2.gz HVBJKMJLIKRVFG-UHFFFAOYSA-N -1 3 301.733 3.870 20 30 DHEDHM O=C(CC=Cc1ccc(F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000081583685 1036983389 /nfs/dbraw/zinc/98/33/89/1036983389.db2.gz YACUBXGYBWCFPZ-OWOJBTEDSA-N -1 3 314.242 3.654 20 30 DHEDHM O=C(CC=Cc1ccc(F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000081583685 1036983403 /nfs/dbraw/zinc/98/34/03/1036983403.db2.gz YACUBXGYBWCFPZ-OWOJBTEDSA-N -1 3 314.242 3.654 20 30 DHEDHM CCc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000763104451 1037255677 /nfs/dbraw/zinc/25/56/77/1037255677.db2.gz DZRYFSULCLWKGM-KTKRTIGZSA-N -1 3 312.365 3.868 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(C)cc(C)c2)c(OC)cc1[O-] ZINC000763106505 1037258413 /nfs/dbraw/zinc/25/84/13/1037258413.db2.gz VSQFZEOOXBUBKT-AATRIKPKSA-N -1 3 312.365 3.922 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cncc(OCc3ccccc3)c2)c1 ZINC001201625741 1037821891 /nfs/dbraw/zinc/82/18/91/1037821891.db2.gz JZRYATMLBPSBBM-UHFFFAOYSA-N -1 3 317.348 3.981 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccoc1C ZINC000916904147 1038031104 /nfs/dbraw/zinc/03/11/04/1038031104.db2.gz XJFJOLPFDPKNIP-INIZCTEOSA-N -1 3 324.380 3.674 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1occc1C ZINC000916909762 1038047565 /nfs/dbraw/zinc/04/75/65/1038047565.db2.gz UUBMSLQIGCYIFO-HNNXBMFYSA-N -1 3 324.380 3.674 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2cccc(F)c2)c1C#N ZINC001202221793 1038113685 /nfs/dbraw/zinc/11/36/85/1038113685.db2.gz GQRTYQXSBJFKIL-UHFFFAOYSA-N -1 3 302.309 3.627 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OC)CC1 ZINC001190762677 1038375541 /nfs/dbraw/zinc/37/55/41/1038375541.db2.gz SFJUCNGSSFFJPO-UHFFFAOYSA-N -1 3 323.458 3.843 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C)cc2C(F)(F)F)CC1 ZINC001190814570 1038398422 /nfs/dbraw/zinc/39/84/22/1038398422.db2.gz HZKFZIMEGDWABS-UHFFFAOYSA-N -1 3 319.348 3.864 20 30 DHEDHM CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@H](C#N)CC2)c([O-])c1 ZINC001192336062 1038628754 /nfs/dbraw/zinc/62/87/54/1038628754.db2.gz RCSDDPSTCTZZHL-MQMHXKEQSA-N -1 3 300.402 3.502 20 30 DHEDHM N#Cc1ccc(F)c(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000573906172 1039101171 /nfs/dbraw/zinc/10/11/71/1039101171.db2.gz GRRMDFKZWQBJFS-UHFFFAOYSA-N -1 3 315.373 3.504 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000599615468 1039227440 /nfs/dbraw/zinc/22/74/40/1039227440.db2.gz ZWPCDJVNSLIWPH-SJORKVTESA-N -1 3 320.392 3.613 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1C ZINC000592975286 1039314560 /nfs/dbraw/zinc/31/45/60/1039314560.db2.gz ABONYZWKMXJOBY-LLVKDONJSA-N -1 3 313.357 3.572 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n1C ZINC000592975287 1039316625 /nfs/dbraw/zinc/31/66/25/1039316625.db2.gz ABONYZWKMXJOBY-NSHDSACASA-N -1 3 313.357 3.572 20 30 DHEDHM Cc1cc(-c2ccc([O-])c(C#N)c2)cc(C)c1N1CCCC1=O ZINC000593952283 1039795470 /nfs/dbraw/zinc/79/54/70/1039795470.db2.gz JBKKDJHCCQXYEX-UHFFFAOYSA-N -1 3 306.365 3.675 20 30 DHEDHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](C)C#N ZINC000598359990 1041199654 /nfs/dbraw/zinc/19/96/54/1041199654.db2.gz ZLTTTYAGGOJXCR-HNNXBMFYSA-N -1 3 322.408 3.552 20 30 DHEDHM C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417628751 335018155 /nfs/dbraw/zinc/01/81/55/335018155.db2.gz WMLHDLOMQSCTQG-QZTJIDSGSA-N -1 3 323.392 3.654 20 30 DHEDHM O=C(c1ccc(C/N=C/c2ccccc2[O-])cc1)N1CCCCC1 ZINC000016937095 182065101 /nfs/dbraw/zinc/06/51/01/182065101.db2.gz WDLJROVPKGDTFD-RCCKNPSSSA-N -1 3 322.408 3.637 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000417632778 335020155 /nfs/dbraw/zinc/02/01/55/335020155.db2.gz XBMBYYCEMWDZHI-NSHDSACASA-N -1 3 321.726 3.868 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000297952862 132042094 /nfs/dbraw/zinc/04/20/94/132042094.db2.gz VBBVZHIKQVWKQP-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000297952860 132042590 /nfs/dbraw/zinc/04/25/90/132042590.db2.gz VBBVZHIKQVWKQP-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000293062035 335099818 /nfs/dbraw/zinc/09/98/18/335099818.db2.gz CCDDVXNZQFNXIL-LLVKDONJSA-N -1 3 306.312 3.730 20 30 DHEDHM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000102118520 332666815 /nfs/dbraw/zinc/66/68/15/332666815.db2.gz QNLYNEFVVSLRPG-ZDUSSCGKSA-N -1 3 320.352 3.540 20 30 DHEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000177574067 332991789 /nfs/dbraw/zinc/99/17/89/332991789.db2.gz UFDHPSIBOJTUBC-UHFFFAOYSA-N -1 3 312.197 3.506 20 30 DHEDHM CC1(C)CCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@H]1C#N ZINC000356401360 333527271 /nfs/dbraw/zinc/52/72/71/333527271.db2.gz WIAYSPVFGIQSPD-AWEZNQCLSA-N -1 3 312.335 3.925 20 30 DHEDHM Cc1ncc(CO)c(/C=N/c2ccc(OC(C)(C)C)cc2)c1[O-] ZINC000265938759 333969612 /nfs/dbraw/zinc/96/96/12/333969612.db2.gz ICTPMPGPIHRDKP-KEBDBYFISA-N -1 3 314.385 3.516 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cncs1 ZINC000340073909 334123499 /nfs/dbraw/zinc/12/34/99/334123499.db2.gz GEFWYRXTMIAFPN-SNVBAGLBSA-N -1 3 303.412 3.647 20 30 DHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cncs1 ZINC000340108288 334128147 /nfs/dbraw/zinc/12/81/47/334128147.db2.gz JOBAZKVMPOOMLM-JTQLQIEISA-N -1 3 303.412 3.790 20 30 DHEDHM CC(C)(C)n1ncnc1C/N=C/c1c([O-])ccc2ccccc21 ZINC000283774684 334141339 /nfs/dbraw/zinc/14/13/39/334141339.db2.gz KAACFMMWORAZNV-VXLYETTFSA-N -1 3 308.385 3.511 20 30 DHEDHM N#CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000340313703 334164557 /nfs/dbraw/zinc/16/45/57/334164557.db2.gz LWVRRETVVBBMCD-UHFFFAOYSA-N -1 3 320.270 3.729 20 30 DHEDHM CCOc1cc(CN(CCC#N)CC2CC2)cc(Cl)c1[O-] ZINC000297566306 334242378 /nfs/dbraw/zinc/24/23/78/334242378.db2.gz COCGCUTXANBLIX-UHFFFAOYSA-N -1 3 308.809 3.570 20 30 DHEDHM C=CCOc1cccnc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000342136394 334513583 /nfs/dbraw/zinc/51/35/83/334513583.db2.gz VCJSWARXEUGKBP-UHFFFAOYSA-N -1 3 318.760 3.566 20 30 DHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000443422782 338451537 /nfs/dbraw/zinc/45/15/37/338451537.db2.gz OBRUSDYGYIJOHY-UHFFFAOYSA-N -1 3 317.410 3.615 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC000344346318 335243092 /nfs/dbraw/zinc/24/30/92/335243092.db2.gz GXDRLLMQHILLER-UHFFFAOYSA-N -1 3 304.396 3.753 20 30 DHEDHM C=CCN(CCc1ccco1)C(=O)c1cc([O-])ccc1Cl ZINC000345866693 335356728 /nfs/dbraw/zinc/35/67/28/335356728.db2.gz QDMKUCNJROMQFI-UHFFFAOYSA-N -1 3 305.761 3.510 20 30 DHEDHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(=O)[n-]1 ZINC000329688808 336045132 /nfs/dbraw/zinc/04/51/32/336045132.db2.gz ZBFKBMRFBIBPPO-RRFJBIMHSA-N -1 3 317.433 3.657 20 30 DHEDHM N#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCCCC1 ZINC000332455273 336172110 /nfs/dbraw/zinc/17/21/10/336172110.db2.gz NGKMGYRKHNOFJQ-QGZVFWFLSA-N -1 3 308.381 3.748 20 30 DHEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332599176 336175484 /nfs/dbraw/zinc/17/54/84/336175484.db2.gz LWUZAJFVXXEODD-YJYMSZOUSA-N -1 3 308.381 3.748 20 30 DHEDHM C=CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352021807 336189706 /nfs/dbraw/zinc/18/97/06/336189706.db2.gz REGNNQHFRNFIOX-YWEYNIOJSA-N -1 3 324.380 3.803 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc3sccc3c2)nc(C)n1 ZINC000352046659 336191676 /nfs/dbraw/zinc/19/16/76/336191676.db2.gz VFIFJWGZMZVCOA-AWEZNQCLSA-N -1 3 307.378 3.798 20 30 DHEDHM C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000372095971 336921929 /nfs/dbraw/zinc/92/19/29/336921929.db2.gz QQJZWSFTAPTYJX-LBPRGKRZSA-N -1 3 311.385 3.698 20 30 DHEDHM CCn1c(C)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190966322 337291724 /nfs/dbraw/zinc/29/17/24/337291724.db2.gz FPPCKUOSUJPVPB-OAHLLOKOSA-N -1 3 318.380 3.558 20 30 DHEDHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)c(F)c(F)c1F ZINC000583744598 337328431 /nfs/dbraw/zinc/32/84/31/337328431.db2.gz PZWHXJFXYRZXEE-UHFFFAOYSA-N -1 3 323.167 3.913 20 30 DHEDHM N#CCc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000514722535 337969259 /nfs/dbraw/zinc/96/92/59/337969259.db2.gz HMMBEDDZVZOXHS-UHFFFAOYSA-N -1 3 311.410 3.559 20 30 DHEDHM C=CC1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000515490835 337990731 /nfs/dbraw/zinc/99/07/31/337990731.db2.gz UJGKADKCODXBDK-CQSZACIVSA-N -1 3 313.319 3.729 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)c(C)c2)CC)n1 ZINC000435338755 338237530 /nfs/dbraw/zinc/23/75/30/338237530.db2.gz JFPCOVWWBKUCNR-XNTDXEJSSA-N -1 3 307.397 3.853 20 30 DHEDHM CCCNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436699500 338283365 /nfs/dbraw/zinc/28/33/65/338283365.db2.gz QYBFPFQTQBJJKO-UHFFFAOYSA-N -1 3 323.396 3.900 20 30 DHEDHM CCc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c([O-])c1 ZINC000436820888 338288706 /nfs/dbraw/zinc/28/87/06/338288706.db2.gz IMNMVAIPTBPGSR-OAHLLOKOSA-N -1 3 314.772 3.603 20 30 DHEDHM CCOc1ccc(N(CCC#N)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436923899 338293593 /nfs/dbraw/zinc/29/35/93/338293593.db2.gz BFQBGCWUXYLHMP-UHFFFAOYSA-N -1 3 324.380 3.660 20 30 DHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000439079650 338360485 /nfs/dbraw/zinc/36/04/85/338360485.db2.gz PBPDSHBSBIQIMN-UHFFFAOYSA-N -1 3 310.687 3.952 20 30 DHEDHM Cc1nsc([N-]C(=O)Nc2ccccc2OC(C)C)c1C#N ZINC000459572712 339036574 /nfs/dbraw/zinc/03/65/74/339036574.db2.gz DRQDANVTIJXIQM-UHFFFAOYSA-N -1 3 316.386 3.754 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000501943906 340091207 /nfs/dbraw/zinc/09/12/07/340091207.db2.gz DGPPEIFSDLAVNK-UHFFFAOYSA-N -1 3 308.381 3.743 20 30 DHEDHM C=C(C)COc1cccc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000303223745 340313973 /nfs/dbraw/zinc/31/39/73/340313973.db2.gz VWNRWOCZRGRYRU-UHFFFAOYSA-N -1 3 313.353 3.608 20 30 DHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3cncn3c2)s1 ZINC000551483695 341342741 /nfs/dbraw/zinc/34/27/41/341342741.db2.gz UGMLGBOARXSNLK-CYBMUJFWSA-N -1 3 324.409 3.578 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(C(C)C)nc2C)s1 ZINC000298607169 536097713 /nfs/dbraw/zinc/09/77/13/536097713.db2.gz QYWQUYSQWKTVCD-UHFFFAOYSA-N -1 3 303.387 3.854 20 30 DHEDHM C=CCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735416957 598824046 /nfs/dbraw/zinc/82/40/46/598824046.db2.gz UXOBTJVCAWYJNF-UHFFFAOYSA-N -1 3 309.398 3.597 20 30 DHEDHM C=CCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735416957 598824047 /nfs/dbraw/zinc/82/40/47/598824047.db2.gz UXOBTJVCAWYJNF-UHFFFAOYSA-N -1 3 309.398 3.597 20 30 DHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc2ccccc2o1 ZINC000822922842 606303106 /nfs/dbraw/zinc/30/31/06/606303106.db2.gz KSKSBYWFWGYZAC-AATRIKPKSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2ccccc2o1 ZINC000822922842 606303107 /nfs/dbraw/zinc/30/31/07/606303107.db2.gz KSKSBYWFWGYZAC-AATRIKPKSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1coc2ccccc12 ZINC000826402514 607885759 /nfs/dbraw/zinc/88/57/59/607885759.db2.gz WCFZUABVPZZQBW-KTKRTIGZSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000826402514 607885760 /nfs/dbraw/zinc/88/57/60/607885760.db2.gz WCFZUABVPZZQBW-KTKRTIGZSA-N -1 3 316.320 3.509 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826305319 608318599 /nfs/dbraw/zinc/31/85/99/608318599.db2.gz RWRMILWKPRQRSU-KPENOIPVSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826305319 608318601 /nfs/dbraw/zinc/31/86/01/608318601.db2.gz RWRMILWKPRQRSU-KPENOIPVSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826295670 608880192 /nfs/dbraw/zinc/88/01/92/608880192.db2.gz SKEXHFCBDRHMMK-VQHVLOKHSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826295670 608880195 /nfs/dbraw/zinc/88/01/95/608880195.db2.gz SKEXHFCBDRHMMK-VQHVLOKHSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826295669 608880472 /nfs/dbraw/zinc/88/04/72/608880472.db2.gz SKEXHFCBDRHMMK-CLFYSBASSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826295669 608880475 /nfs/dbraw/zinc/88/04/75/608880475.db2.gz SKEXHFCBDRHMMK-CLFYSBASSA-N -1 3 322.343 3.519 20 30 DHEDHM N#CC1(CCCCN2Cc3ccccc3[C@H](C(=O)[O-])C2)CCC1 ZINC000903706768 956902487 /nfs/dbraw/zinc/90/24/87/956902487.db2.gz MQNHVHCHEVOVFH-QGZVFWFLSA-N -1 3 312.413 3.535 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000255050132 1013254587 /nfs/dbraw/zinc/25/45/87/1013254587.db2.gz YIVDHOIYZPDEQT-YLUCWHJUSA-N -1 3 305.805 3.812 20 30 DHEDHM COC1CCC(CCNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000330555493 1013823488 /nfs/dbraw/zinc/82/34/88/1013823488.db2.gz GYYIWHAWQULWPC-UHFFFAOYSA-N -1 3 311.809 3.946 20 30 DHEDHM Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c([O-])c1 ZINC000331227257 1013865302 /nfs/dbraw/zinc/86/53/02/1013865302.db2.gz DNDGAMMROCMCDX-OAHLLOKOSA-N -1 3 301.390 3.526 20 30 DHEDHM C=CC[C@@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000656760048 975686903 /nfs/dbraw/zinc/68/69/03/975686903.db2.gz OZBMKFPVWMZEPJ-ABAIWWIYSA-N -1 3 311.784 3.893 20 30 DHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000190649023 1014316933 /nfs/dbraw/zinc/31/69/33/1014316933.db2.gz FEEANLSHQOROMM-CQSZACIVSA-N -1 3 309.325 3.603 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(F)ccc2C)c(OC)cc1[O-] ZINC000588394366 1014452768 /nfs/dbraw/zinc/45/27/68/1014452768.db2.gz LULBBIMVCKWERC-ALCCZGGFSA-N -1 3 316.328 3.753 20 30 DHEDHM CC[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001595298765 980421281 /nfs/dbraw/zinc/42/12/81/980421281.db2.gz CDAZUBCSTAYZGT-QGZVFWFLSA-N -1 3 312.344 3.636 20 30 DHEDHM CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595298943 980422446 /nfs/dbraw/zinc/42/24/46/980422446.db2.gz FCJXIJZJVDYHAZ-QGZVFWFLSA-N -1 3 324.380 3.506 20 30 DHEDHM C=CCN(Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588832734 984326021 /nfs/dbraw/zinc/32/60/21/984326021.db2.gz ODAGROBLHYBLLF-SFHVURJKSA-N -1 3 324.355 3.511 20 30 DHEDHM C[C@H](Cc1ccncc1)/N=C\c1cc(Br)ccc1[O-] ZINC000749845418 1015098990 /nfs/dbraw/zinc/09/89/90/1015098990.db2.gz QSGPDIUTGSTSQP-IPHDDYSGSA-N -1 3 319.202 3.600 20 30 DHEDHM COCCC(C)(C)C/N=C\c1cc(Br)ccc1[O-] ZINC000588451376 1015669338 /nfs/dbraw/zinc/66/93/38/1015669338.db2.gz FDOUODISUCGPNQ-SXGWCWSVSA-N -1 3 314.223 3.636 20 30 DHEDHM C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC001593698745 996166686 /nfs/dbraw/zinc/16/66/86/996166686.db2.gz MQKCLFDIGOPAOQ-NSHDSACASA-N -1 3 300.383 3.511 20 30 DHEDHM Cc1c(Br)cccc1N=Cc1ccc(O)c([O-])c1O ZINC000255470188 1016270080 /nfs/dbraw/zinc/27/00/80/1016270080.db2.gz RWDYFQGXGQMBOJ-UHFFFAOYSA-N -1 3 322.158 3.625 20 30 DHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc([O-])c(F)c1 ZINC000892201305 1016419498 /nfs/dbraw/zinc/41/94/98/1016419498.db2.gz JVIDANYHWWKFDH-AEFFLSMTSA-N -1 3 310.372 3.803 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)c(OC)c2)CC)n1 ZINC000442336037 1032172418 /nfs/dbraw/zinc/17/24/18/1032172418.db2.gz PKNZQRLBIKTRLZ-ZROIWOOFSA-N -1 3 323.396 3.553 20 30 DHEDHM Cc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362134735 1032246397 /nfs/dbraw/zinc/24/63/97/1032246397.db2.gz CUZHTFDVUUBVHE-CYBMUJFWSA-N -1 3 304.271 3.899 20 30 DHEDHM N#Cc1ccc(SCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000579777058 1012071406 /nfs/dbraw/zinc/07/14/06/1012071406.db2.gz ALMLNMHJUOVGOY-UHFFFAOYSA-N -1 3 318.785 3.648 20 30 DHEDHM Cc1c(C#N)cccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000513823408 1012203645 /nfs/dbraw/zinc/20/36/45/1012203645.db2.gz ULXGIZBFCNLWQG-GFCCVEGCSA-N -1 3 306.365 3.726 20 30 DHEDHM COc1cc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)ccc1[O-] ZINC000254988931 1012663564 /nfs/dbraw/zinc/66/35/64/1012663564.db2.gz CXKRMIFTUHRNNO-NTMALXAHSA-N -1 3 320.348 3.687 20 30 DHEDHM CC(C)[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000759641653 1017784539 /nfs/dbraw/zinc/78/45/39/1017784539.db2.gz DZBQHGVVZVGCBP-RMNBPEERSA-N -1 3 311.809 3.831 20 30 DHEDHM CC(C)[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000759641654 1017785191 /nfs/dbraw/zinc/78/51/91/1017785191.db2.gz DZBQHGVVZVGCBP-WXARJGPPSA-N -1 3 311.809 3.831 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)ccc1[O-] ZINC000255566662 1018010596 /nfs/dbraw/zinc/01/05/96/1018010596.db2.gz GOHRLQCMUXSJQT-RQOWECAXSA-N -1 3 308.255 3.714 20 30 DHEDHM N#Cc1ccc(-c2noc(-c3ccc([O-])cn3)n2)c2ccccc12 ZINC001212558098 1018462619 /nfs/dbraw/zinc/46/26/19/1018462619.db2.gz RMGATWXDLFTFRC-UHFFFAOYSA-N -1 3 314.304 3.529 20 30 DHEDHM CC(=NNc1ccc(C)cn1)c1cc(Br)ccc1[O-] ZINC000727260084 1019675332 /nfs/dbraw/zinc/67/53/32/1019675332.db2.gz PCKBCWMZNQVSRP-UHFFFAOYSA-N -1 3 320.190 3.694 20 30 DHEDHM CCOc1cc(C=NNc2ccc(C)cn2)cc(Cl)c1[O-] ZINC000727259912 1019676551 /nfs/dbraw/zinc/67/65/51/1019676551.db2.gz NHAPDJOGDBRHNP-UHFFFAOYSA-N -1 3 305.765 3.594 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(N(C)C)c(F)c2)ccc1[O-] ZINC000727655001 1019749493 /nfs/dbraw/zinc/74/94/93/1019749493.db2.gz RAYRQUNTHREGHH-YVMONPNESA-N -1 3 315.344 3.502 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](CC(C)C)c2ccccc2)c1[O-] ZINC000005111165 1019762653 /nfs/dbraw/zinc/76/26/53/1019762653.db2.gz FVABJMZKNPZPTA-NIQDBXHUSA-N -1 3 312.413 3.794 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@@H]2CCC(C)C)c1[O-] ZINC000727781598 1019780970 /nfs/dbraw/zinc/78/09/70/1019780970.db2.gz RAKBMRWKKWCWPC-WKUXXMITSA-N -1 3 304.434 3.612 20 30 DHEDHM CCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)C1CCCCC1 ZINC000728174741 1019911602 /nfs/dbraw/zinc/91/16/02/1019911602.db2.gz ZXWVDRGELPLPNI-BCUAHEQISA-N -1 3 304.434 3.756 20 30 DHEDHM C=C(C)COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000731767667 1020143702 /nfs/dbraw/zinc/14/37/02/1020143702.db2.gz CPXPGZJOOKKHHN-UHFFFAOYSA-N -1 3 321.174 3.572 20 30 DHEDHM Cc1c([O-])ccc2c(CSc3cccc(C#N)c3)cc(=O)oc12 ZINC000177104073 1020413188 /nfs/dbraw/zinc/41/31/88/1020413188.db2.gz PHDQOCCOZKUDHD-UHFFFAOYSA-N -1 3 323.373 3.971 20 30 DHEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc2ccccc21 ZINC000073973604 1020515284 /nfs/dbraw/zinc/51/52/84/1020515284.db2.gz DTCHXHOYPYTVMY-UHFFFAOYSA-N -1 3 304.309 3.854 20 30 DHEDHM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000739422266 1020907964 /nfs/dbraw/zinc/90/79/64/1020907964.db2.gz UJTZOASHPDOHPI-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000739422266 1020907969 /nfs/dbraw/zinc/90/79/69/1020907969.db2.gz UJTZOASHPDOHPI-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM COc1cc(C(=O)/C=C\c2nccc3ccccc23)ccc1[O-] ZINC000740764344 1020949960 /nfs/dbraw/zinc/94/99/60/1020949960.db2.gz RVPYRTUBIKQILJ-CLFYSBASSA-N -1 3 305.333 3.845 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)ccc1[O-] ZINC000255889594 1020972400 /nfs/dbraw/zinc/97/24/00/1020972400.db2.gz BGAFLFPPFCRGNY-WYOARUQKSA-N -1 3 323.348 3.588 20 30 DHEDHM COc1cc(C(=O)/C=C\c2nc3c(s2)CCCC3)ccc1[O-] ZINC000776266579 1021198868 /nfs/dbraw/zinc/19/88/68/1021198868.db2.gz SCUNGSGKWBVLSP-HJWRWDBZSA-N -1 3 315.394 3.632 20 30 DHEDHM C=CCn1c(SCc2nc(C)c(C(C)(C)C)s2)n[n-]c1=O ZINC000917209642 1021210875 /nfs/dbraw/zinc/21/08/75/1021210875.db2.gz JYHKQFIGGVQZNH-UHFFFAOYSA-N -1 3 324.475 3.524 20 30 DHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1nccs1 ZINC000618374988 1021366725 /nfs/dbraw/zinc/36/67/25/1021366725.db2.gz OOIIQSTWOYEWHL-JTQLQIEISA-N -1 3 303.412 3.790 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)ccc1[O-] ZINC000728697145 1021673012 /nfs/dbraw/zinc/67/30/12/1021673012.db2.gz DKRCHJOXFBJNOT-UQYHUFHVSA-N -1 3 307.349 3.888 20 30 DHEDHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1(C#N)CCC1 ZINC000094054654 1021711867 /nfs/dbraw/zinc/71/18/67/1021711867.db2.gz GGNWMAPRXOGOKD-UHFFFAOYSA-N -1 3 320.392 3.501 20 30 DHEDHM Cc1cc(CO[N-]C(=O)CCC2CCCCC2)ccc1C#N ZINC000783031180 1021734522 /nfs/dbraw/zinc/73/45/22/1021734522.db2.gz YKDJSTXVUCTNOB-UHFFFAOYSA-N -1 3 300.402 3.775 20 30 DHEDHM Cc1cc(=O)[n-]c(N=NC(C)[C@@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000920359223 1022108921 /nfs/dbraw/zinc/10/89/21/1022108921.db2.gz JAYJZAQPITUNTR-QWHCGFSZSA-N -1 3 316.792 3.736 20 30 DHEDHM O=C(CCc1ccoc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379054 1022119040 /nfs/dbraw/zinc/11/90/40/1022119040.db2.gz UYKVMXGQDUEALK-UHFFFAOYSA-N -1 3 314.168 3.937 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(F)cc(F)c2)c(OC)cc1[O-] ZINC000121348227 1022416968 /nfs/dbraw/zinc/41/69/68/1022416968.db2.gz JANKWNLWQOGLNX-ONEGZZNKSA-N -1 3 320.291 3.584 20 30 DHEDHM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000671162412 1022989817 /nfs/dbraw/zinc/98/98/17/1022989817.db2.gz AWSRURRWCNDALT-HNNXBMFYSA-N -1 3 317.410 3.619 20 30 DHEDHM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000671162413 1022991372 /nfs/dbraw/zinc/99/13/72/1022991372.db2.gz AWSRURRWCNDALT-OAHLLOKOSA-N -1 3 317.410 3.619 20 30 DHEDHM CC(=NNCc1ccc(C#N)cc1)c1ccc2ccccc2c1[O-] ZINC000769823204 1023212832 /nfs/dbraw/zinc/21/28/32/1023212832.db2.gz PNNHQTLJJAZXDW-UHFFFAOYSA-N -1 3 315.376 3.931 20 30 DHEDHM CC(=NN[C@@H](CO)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000788470496 1023890243 /nfs/dbraw/zinc/89/02/43/1023890243.db2.gz YKQLHKUCEFYNDA-IBGZPJMESA-N -1 3 320.392 3.593 20 30 DHEDHM Cc1ccc2nc(/C=C3\C(=O)c4c(c(F)ccc4[O-])[C@H]3C)cn2c1 ZINC000789130095 1023995562 /nfs/dbraw/zinc/99/55/62/1023995562.db2.gz ZNNRQGALTRMXDL-HKMIMPICSA-N -1 3 322.339 3.871 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(F)c(F)cc2F)ccc1[O-] ZINC000129943624 1024110052 /nfs/dbraw/zinc/11/00/52/1024110052.db2.gz ZUSGAOJBJUUCAJ-DUXPYHPUSA-N -1 3 308.255 3.714 20 30 DHEDHM CC(C)n1ncc2c1C[C@H](/N=C\c1cc(Cl)ccc1[O-])CC2 ZINC000790098379 1024223157 /nfs/dbraw/zinc/22/31/57/1024223157.db2.gz HKJMVBFKDXOSLN-HBFFOVPNSA-N -1 3 317.820 3.799 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2nccn2-c2ccccc2)ccc1[O-] ZINC000790217041 1024243868 /nfs/dbraw/zinc/24/38/68/1024243868.db2.gz YVHMOSHAXOXUFZ-KTKRTIGZSA-N -1 3 304.349 3.782 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(C#N)cc1F ZINC000772797721 1024683659 /nfs/dbraw/zinc/68/36/59/1024683659.db2.gz PMHYBCRYGAVQJK-SZJBZFAYSA-N -1 3 311.287 3.925 20 30 DHEDHM CCC(CC)(C/N=C\c1cc(Br)ccc1[O-])OC ZINC000793669984 1025141620 /nfs/dbraw/zinc/14/16/20/1025141620.db2.gz WFSNEZHXXXBQTB-SXGWCWSVSA-N -1 3 314.223 3.779 20 30 DHEDHM C=C(Cl)CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134932613 1025145502 /nfs/dbraw/zinc/14/55/02/1025145502.db2.gz HSHTVRXLZTWYOJ-ZETCQYMHSA-N -1 3 308.578 3.697 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(F)F)cc2)n1 ZINC000041521795 1025409145 /nfs/dbraw/zinc/40/91/45/1025409145.db2.gz LQDFRSYZBOSOQR-LLVKDONJSA-N -1 3 308.309 3.543 20 30 DHEDHM CC(C)c1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c([O-])c1 ZINC000408416454 1025570222 /nfs/dbraw/zinc/57/02/22/1025570222.db2.gz TYOYYPHXFQEUSA-INIZCTEOSA-N -1 3 300.402 3.670 20 30 DHEDHM CSc1cc(F)ccc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC001130290333 1025631691 /nfs/dbraw/zinc/63/16/91/1025631691.db2.gz IZSHDFATULEUMQ-UHFFFAOYSA-N -1 3 321.764 3.720 20 30 DHEDHM CC(C)(CCC#N)C/N=C\c1cc(Br)ccc1[O-] ZINC000806550606 1025916565 /nfs/dbraw/zinc/91/65/65/1025916565.db2.gz MNRLQNFMKOXZJB-MFOYZWKCSA-N -1 3 309.207 3.904 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCCSC1 ZINC000806551948 1025917062 /nfs/dbraw/zinc/91/70/62/1025917062.db2.gz ORJAEPCSOQYBFP-CYANDVJASA-N -1 3 314.248 3.717 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cccc(-n3cccn3)c2)ccc1[O-] ZINC000760266476 1025962325 /nfs/dbraw/zinc/96/23/25/1025962325.db2.gz VFAWZTBFOZJPOS-SOFGYWHQSA-N -1 3 304.349 3.782 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2cccc(C#N)c2C)c1[O-] ZINC000513613966 1026545400 /nfs/dbraw/zinc/54/54/00/1026545400.db2.gz VJJQXVKEUZUSLG-UHFFFAOYSA-N -1 3 300.745 3.786 20 30 DHEDHM COc1c(O)cccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000810239335 1026726515 /nfs/dbraw/zinc/72/65/15/1026726515.db2.gz ZILKPRMQCDPAKW-OHMLCJAVSA-N -1 3 314.312 3.629 20 30 DHEDHM C=CCC(C)(C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000814121313 1027899968 /nfs/dbraw/zinc/89/99/68/1027899968.db2.gz UXLCCZSFXPZAID-UHFFFAOYSA-N -1 3 301.308 3.856 20 30 DHEDHM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1cnc2ccccc2n1 ZINC000566327007 1028705521 /nfs/dbraw/zinc/70/55/21/1028705521.db2.gz MUTPSHBVMMUNPQ-AWEZNQCLSA-N -1 3 316.364 3.715 20 30 DHEDHM Cc1c(Cl)c(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1C ZINC000817344164 1029135373 /nfs/dbraw/zinc/13/53/73/1029135373.db2.gz WDDVJSOHDXJBGW-TUOMEMKJSA-N -1 3 320.751 3.610 20 30 DHEDHM CCCCCCC[C@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001136342968 1029734920 /nfs/dbraw/zinc/73/49/20/1029734920.db2.gz IKPXVMVENGUXDD-ZDUSSCGKSA-N -1 3 302.422 3.684 20 30 DHEDHM C[C@H](NCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1[O-] ZINC000866260046 1030184831 /nfs/dbraw/zinc/18/48/31/1030184831.db2.gz ABMOFBJIQAIXIV-NSHDSACASA-N -1 3 315.442 3.869 20 30 DHEDHM O=C1c2cc(F)cc(F)c2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794936999 1030392893 /nfs/dbraw/zinc/39/28/93/1030392893.db2.gz HVINBEIUQIUWMY-XVNBXDOJSA-N -1 3 324.229 3.607 20 30 DHEDHM COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1F ZINC000794936657 1030411724 /nfs/dbraw/zinc/41/17/24/1030411724.db2.gz CVLUNXZEELSCHI-HWKANZROSA-N -1 3 308.255 3.714 20 30 DHEDHM COc1ccc2c(c1)C(=O)/C(=C/c1c(F)ccc([O-])c1F)CC2 ZINC000794942029 1030425340 /nfs/dbraw/zinc/42/53/40/1030425340.db2.gz GDDKKMYXJRFBFB-DHZHZOJOSA-N -1 3 316.303 3.892 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCC3CC3)cc2)n1 ZINC000066504235 1030514964 /nfs/dbraw/zinc/51/49/64/1030514964.db2.gz ZHEFEPLWVZTHNH-HNNXBMFYSA-N -1 3 312.394 3.730 20 30 DHEDHM N#Cc1cnnc(-c2ccccc2)c1Nc1ccc([O-])c(F)c1F ZINC001212005279 1030635487 /nfs/dbraw/zinc/63/54/87/1030635487.db2.gz FBRGZDVHAISXNI-UHFFFAOYSA-N -1 3 324.290 3.743 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(F)cc2F)c(OC)cc1[O-] ZINC000122487578 1030731149 /nfs/dbraw/zinc/73/11/49/1030731149.db2.gz QZKVPBKQYAWTPZ-GQCTYLIASA-N -1 3 320.291 3.584 20 30 DHEDHM CC[C@@H](CC(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845469 1031727078 /nfs/dbraw/zinc/72/70/78/1031727078.db2.gz XWGANZGLRJAUCE-GXTWGEPZSA-N -1 3 319.351 3.678 20 30 DHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCCC(F)(F)F ZINC000845841005 1031739346 /nfs/dbraw/zinc/73/93/46/1031739346.db2.gz IQZAWEGZPUZKOS-ZDUSSCGKSA-N -1 3 323.314 3.729 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1C(C)C ZINC000361530851 1031974213 /nfs/dbraw/zinc/97/42/13/1031974213.db2.gz MEXWALSJLVZUBS-INIZCTEOSA-N -1 3 318.380 3.811 20 30 DHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@@]1(C)CCCO1 ZINC000863125237 1034000480 /nfs/dbraw/zinc/00/04/80/1034000480.db2.gz QOFQLSWHCTYDIX-OAHLLOKOSA-N -1 3 302.403 3.649 20 30 DHEDHM C=CCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(C)C ZINC000794550134 1034185718 /nfs/dbraw/zinc/18/57/18/1034185718.db2.gz KGONICLQGFXRKQ-UHFFFAOYSA-N -1 3 307.777 3.548 20 30 DHEDHM CCOc1cc(/C=C/C(=O)c2ccnc(F)c2)cc(Cl)c1[O-] ZINC000794721087 1034432797 /nfs/dbraw/zinc/43/27/97/1034432797.db2.gz WIRKKQSUPLHFMZ-ONEGZZNKSA-N -1 3 321.735 3.875 20 30 DHEDHM CC(C)(O)C#Cc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099520 1034781623 /nfs/dbraw/zinc/78/16/23/1034781623.db2.gz KSDSHKPSTYEJMO-UHFFFAOYSA-N -1 3 303.308 3.536 20 30 DHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128733133 1035186549 /nfs/dbraw/zinc/18/65/49/1035186549.db2.gz YWJJYPMKILVADT-INIZCTEOSA-N -1 3 318.332 3.702 20 30 DHEDHM O=C([C@H]1CC[C@H](C(F)(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904177982 1035381988 /nfs/dbraw/zinc/38/19/88/1035381988.db2.gz VJWGABOGHGSGFH-QWRGUYRKSA-N -1 3 305.271 3.522 20 30 DHEDHM O=C(c1csc(C2CC2)n1)N([O-])Cc1ccccc1Cl ZINC000904188873 1035382521 /nfs/dbraw/zinc/38/25/21/1035382521.db2.gz RAXHISHLZDYTHU-UHFFFAOYSA-N -1 3 308.790 3.706 20 30 DHEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1C(C)(C)C ZINC000904189079 1035382560 /nfs/dbraw/zinc/38/25/60/1035382560.db2.gz ZDSUXQMWKKTIQS-UHFFFAOYSA-N -1 3 321.808 3.632 20 30 DHEDHM C#CCN(C(=O)c1ccccc1[O-])[C@H]1CCCc2ccccc21 ZINC001178953551 1035457027 /nfs/dbraw/zinc/45/70/27/1035457027.db2.gz FIKRLXBAFHGTFX-SFHVURJKSA-N -1 3 305.377 3.545 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2ccc(F)c(F)c2F)c1F ZINC000814945996 1035493250 /nfs/dbraw/zinc/49/32/50/1035493250.db2.gz AFRKYHQFNXNPBB-UHFFFAOYSA-N -1 3 302.202 3.534 20 30 DHEDHM Cc1cn(CCC(=O)Nc2ccc([O-])c(C#N)c2)c2ccccc12 ZINC001181211630 1035866763 /nfs/dbraw/zinc/86/67/63/1035866763.db2.gz WQNQOWYMFJXSRJ-UHFFFAOYSA-N -1 3 319.364 3.556 20 30 DHEDHM N#Cc1cc(NC(=O)CCCc2ccc(Cl)cc2)ccc1[O-] ZINC001181876230 1036029422 /nfs/dbraw/zinc/02/94/22/1036029422.db2.gz VDVDZBHIPSOVDY-UHFFFAOYSA-N -1 3 314.772 3.879 20 30 DHEDHM C=CCCOc1ccc(C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001195131743 1036147754 /nfs/dbraw/zinc/14/77/54/1036147754.db2.gz UZAYCBVOQCFDJZ-UHFFFAOYSA-N -1 3 301.317 3.739 20 30 DHEDHM C[C@H](C/N=C\c1cc(Cl)ccc1[O-])N1CCc2ccccc21 ZINC000914701953 1036252764 /nfs/dbraw/zinc/25/27/64/1036252764.db2.gz SNTFVQITRQVSLB-UAAGNOOKSA-N -1 3 314.816 3.916 20 30 DHEDHM CC(C)Oc1c(F)ccc(C(=O)[N-]c2ccsc2C#N)c1F ZINC001196884626 1036633208 /nfs/dbraw/zinc/63/32/08/1036633208.db2.gz FWMGUJVYMAHLPB-UHFFFAOYSA-N -1 3 322.336 3.937 20 30 DHEDHM CC(C)(C)c1cc(C(=O)N([O-])Cc2ccccc2Cl)no1 ZINC001184283899 1036801895 /nfs/dbraw/zinc/80/18/95/1036801895.db2.gz UYXXGCDHTVKOQL-UHFFFAOYSA-N -1 3 308.765 3.657 20 30 DHEDHM CCc1nc(C)c(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC001184293417 1036808335 /nfs/dbraw/zinc/80/83/35/1036808335.db2.gz RMLQJLKGTSGRJB-UHFFFAOYSA-N -1 3 318.442 3.868 20 30 DHEDHM COCC1(C(=O)N([O-])Cc2cccc3ccccc32)CCCC1 ZINC001184340891 1036817814 /nfs/dbraw/zinc/81/78/14/1036817814.db2.gz SGRIQEXSFRNBTD-UHFFFAOYSA-N -1 3 313.397 3.764 20 30 DHEDHM N#Cc1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1F ZINC000774911333 1037206117 /nfs/dbraw/zinc/20/61/17/1037206117.db2.gz BGPTWQKPUXUMAP-UHFFFAOYSA-N -1 3 313.115 3.689 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccc3c(c2)CCC3)c1C#N ZINC001185737555 1037225914 /nfs/dbraw/zinc/22/59/14/1037225914.db2.gz YPNCVLBLQJWOJG-UHFFFAOYSA-N -1 3 324.384 3.976 20 30 DHEDHM Cc1cc([O-])ccc1C(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001186192041 1037330825 /nfs/dbraw/zinc/33/08/25/1037330825.db2.gz NLFOCAFYXBPVQS-UHFFFAOYSA-N -1 3 320.270 3.843 20 30 DHEDHM CCOc1cc(C=NNc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000915962609 1037633533 /nfs/dbraw/zinc/63/35/33/1037633533.db2.gz NYEXFPUVMUAANY-UHFFFAOYSA-N -1 3 315.760 3.762 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1nc2ccccc2n1C ZINC001187993508 1037772246 /nfs/dbraw/zinc/77/22/46/1037772246.db2.gz ZCVKWIYZAUGRSR-UHFFFAOYSA-N -1 3 323.462 3.676 20 30 DHEDHM CCCCCCCCS(=O)(=O)Nc1ncc([O-])cc1Cl ZINC001188002048 1037777456 /nfs/dbraw/zinc/77/74/56/1037777456.db2.gz WBGJZORGXJSJIZ-UHFFFAOYSA-N -1 3 320.842 3.543 20 30 DHEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001188660047 1037947409 /nfs/dbraw/zinc/94/74/09/1037947409.db2.gz TWSWXULBRHZXLM-CQSZACIVSA-N -1 3 311.381 3.756 20 30 DHEDHM CCCCCCCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001127419661 1037979084 /nfs/dbraw/zinc/97/90/84/1037979084.db2.gz QOGOIRSEYGHLGU-UHFFFAOYSA-N -1 3 317.389 3.649 20 30 DHEDHM CCOc1ccc(C(=O)[N-]c2ccsc2C#N)c(F)c1F ZINC001190691359 1038373084 /nfs/dbraw/zinc/37/30/84/1038373084.db2.gz MAANIWPPHKSNTG-UHFFFAOYSA-N -1 3 308.309 3.549 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)CC1 ZINC001190806857 1038386337 /nfs/dbraw/zinc/38/63/37/1038386337.db2.gz VSGJDHKWAJPKHE-UHFFFAOYSA-N -1 3 314.410 3.599 20 30 DHEDHM CCOc1cc(CN2CCC[C@@](C)(C#N)C2)cc(Cl)c1[O-] ZINC000590959799 1038732323 /nfs/dbraw/zinc/73/23/23/1038732323.db2.gz JFJMGVDZKVXPPZ-INIZCTEOSA-N -1 3 308.809 3.570 20 30 DHEDHM COc1ccc(C=NNc2ccccc2)c(Br)c1[O-] ZINC000760995350 1039278436 /nfs/dbraw/zinc/27/84/36/1039278436.db2.gz DYVXQBBNKPVQOD-UHFFFAOYSA-N -1 3 321.174 3.609 20 30 DHEDHM N#CC1(CNCc2cccc([O-])c2Br)CCCCC1 ZINC000594981447 1039990834 /nfs/dbraw/zinc/99/08/34/1039990834.db2.gz QDSRIIUJIYLRPS-UHFFFAOYSA-N -1 3 323.234 3.718 20 30 DHEDHM CSC(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000174445789 1040638796 /nfs/dbraw/zinc/63/87/96/1040638796.db2.gz ZOPMMCZVYSKJQS-VGOFMYFVSA-N -1 3 302.237 3.715 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC000602344808 1040974336 /nfs/dbraw/zinc/97/43/36/1040974336.db2.gz WUJBZHYUVZBNIU-PSASIEDQSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC000417605969 335006703 /nfs/dbraw/zinc/00/67/03/335006703.db2.gz ZTPDURHOHFNRMG-GOSISDBHSA-N -1 3 308.381 3.562 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(OC2CCCC2)c1 ZINC000417626596 335016008 /nfs/dbraw/zinc/01/60/08/335016008.db2.gz OEDBPNRDPNPKLG-OAHLLOKOSA-N -1 3 303.402 3.517 20 30 DHEDHM Cc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041555099 183202486 /nfs/dbraw/zinc/20/24/86/183202486.db2.gz YXFZEPMMEZQAFW-CYBMUJFWSA-N -1 3 304.271 3.899 20 30 DHEDHM Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1[O-] ZINC000272516890 130037644 /nfs/dbraw/zinc/03/76/44/130037644.db2.gz VKGFFMGUEOSSOR-UHFFFAOYSA-N -1 3 308.381 3.623 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)o1 ZINC000297752610 132032590 /nfs/dbraw/zinc/03/25/90/132032590.db2.gz LKNQQURHLRUOEN-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM [O-]c1ccccc1/C=N/c1ccc(OCC2CCOCC2)cc1 ZINC000078007414 331960424 /nfs/dbraw/zinc/96/04/24/331960424.db2.gz GBFJVZGHEXGTAF-DEDYPNTBSA-N -1 3 311.381 3.948 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCSc2c(F)cccc21 ZINC000292920770 335098071 /nfs/dbraw/zinc/09/80/71/335098071.db2.gz ZHESFDBSZSGDQF-NSHDSACASA-N -1 3 301.333 3.690 20 30 DHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cccc(F)c2C#N)c1 ZINC000427663217 332480481 /nfs/dbraw/zinc/48/04/81/332480481.db2.gz CQSCTDMQGZBYLN-UHFFFAOYSA-N -1 3 312.344 3.953 20 30 DHEDHM Cc1ccc(CC(=O)[N-]OCc2ccccc2C(C)(C)C#N)cc1 ZINC000134119299 332598382 /nfs/dbraw/zinc/59/83/82/332598382.db2.gz FKPHVJKDXPCMOZ-UHFFFAOYSA-N -1 3 322.408 3.587 20 30 DHEDHM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000102118523 332666863 /nfs/dbraw/zinc/66/68/63/332666863.db2.gz QNLYNEFVVSLRPG-CYBMUJFWSA-N -1 3 320.352 3.540 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)o1 ZINC000410929936 333611327 /nfs/dbraw/zinc/61/13/27/333611327.db2.gz MOFNHJMDNIGJRW-UHFFFAOYSA-N -1 3 316.382 3.965 20 30 DHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])[C@H]1CCCCO1 ZINC000271969460 334029164 /nfs/dbraw/zinc/02/91/64/334029164.db2.gz WJGIFQVOPNOGGV-CKGYPIGKSA-N -1 3 312.207 3.531 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H](C1CC1)C(F)(F)F ZINC000287050952 334156060 /nfs/dbraw/zinc/15/60/60/334156060.db2.gz IQPJRXSVHVHOKL-HMVWTOQKSA-N -1 3 322.124 3.915 20 30 DHEDHM CCc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1[O-] ZINC000291409997 334178248 /nfs/dbraw/zinc/17/82/48/334178248.db2.gz FNKCJMMLGCNOLY-UHFFFAOYSA-N -1 3 324.380 3.889 20 30 DHEDHM CCC[C@H](C)C(=O)NCC/N=C/c1c([O-])ccc2ccccc21 ZINC000292237828 334185913 /nfs/dbraw/zinc/18/59/13/334185913.db2.gz BURFLZVVXANPJQ-ZXOFLVKFSA-N -1 3 312.413 3.517 20 30 DHEDHM CC[C@H](C)Oc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000299169143 334253696 /nfs/dbraw/zinc/25/36/96/334253696.db2.gz QSJWCCOEESXBAR-QDBSGRMGSA-N -1 3 314.385 3.516 20 30 DHEDHM CC(C)c1cc(C(=O)N(C)C[C@H](C)C#N)c([O-])c(C(C)C)c1 ZINC000299244211 334254208 /nfs/dbraw/zinc/25/42/08/334254208.db2.gz KKSJEYKHCTWAET-CYBMUJFWSA-N -1 3 302.418 3.871 20 30 DHEDHM N#Cc1c([N-]C(=O)c2ccoc2Cl)sc2c1CCCC2 ZINC000192394451 336030680 /nfs/dbraw/zinc/03/06/80/336030680.db2.gz CUZGXVKDEMJACX-UHFFFAOYSA-N -1 3 306.774 3.997 20 30 DHEDHM C[C@@H](NC(=O)c1csc(=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000329906631 336094202 /nfs/dbraw/zinc/09/42/02/336094202.db2.gz KGOAAZOMGYFKJX-LDWCXNJISA-N -1 3 306.431 3.758 20 30 DHEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1nc(C(C)(C)C)cs1 ZINC000329921268 336095585 /nfs/dbraw/zinc/09/55/85/336095585.db2.gz FMUQFRDLIVWVJP-ZETCQYMHSA-N -1 3 311.432 3.669 20 30 DHEDHM Cc1ccc([O-])c(NC(=O)C2CCC(NC(=O)C3CC3)CC2)n1 ZINC000330075318 336111381 /nfs/dbraw/zinc/11/13/81/336111381.db2.gz GEMYKWYFYJNZRJ-UHFFFAOYSA-N -1 3 317.389 3.609 20 30 DHEDHM COc1ccc([O-])c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000352198893 336201541 /nfs/dbraw/zinc/20/15/41/336201541.db2.gz RLYMONNGBRAYMD-QGZVFWFLSA-N -1 3 324.380 3.566 20 30 DHEDHM N#Cc1c([N-]C(=O)c2csc(C3CC3)n2)sc2c1CCC2 ZINC000194782009 336409607 /nfs/dbraw/zinc/40/96/07/336409607.db2.gz ZJMAKNKBHPPUMC-UHFFFAOYSA-N -1 3 315.423 3.695 20 30 DHEDHM Cc1cc(C(=O)Nc2cccc(OCCCC#N)c2)ccc1[O-] ZINC000354432029 336470576 /nfs/dbraw/zinc/47/05/76/336470576.db2.gz YGRZBHFJZPTOKO-UHFFFAOYSA-N -1 3 310.353 3.636 20 30 DHEDHM Cc1onc(-c2ccccc2C)c1C([O-])=C(C#N)c1ccccn1 ZINC000361660205 336767576 /nfs/dbraw/zinc/76/75/76/336767576.db2.gz ALFBOJFMJVWIGN-HNNXBMFYSA-N -1 3 317.348 3.844 20 30 DHEDHM C=CCC1(C(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC000189799090 337282040 /nfs/dbraw/zinc/28/20/40/337282040.db2.gz CTDZHYDJQYPDLR-UHFFFAOYSA-N -1 3 310.191 3.840 20 30 DHEDHM CC(C)n1cccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190958565 337291765 /nfs/dbraw/zinc/29/17/65/337291765.db2.gz WQMIWDOPESEKSZ-ZDUSSCGKSA-N -1 3 304.353 3.502 20 30 DHEDHM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426677108 338037788 /nfs/dbraw/zinc/03/77/88/338037788.db2.gz JHSKXYGXVBDXOZ-INIZCTEOSA-N -1 3 317.410 3.619 20 30 DHEDHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426698285 338038516 /nfs/dbraw/zinc/03/85/16/338038516.db2.gz ZKMSGYHEJNHTLZ-MRXNPFEDSA-N -1 3 317.410 3.619 20 30 DHEDHM N#Cc1ccccc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432696542 338163419 /nfs/dbraw/zinc/16/34/19/338163419.db2.gz SYVWUDZPFNBHAR-AQTBWJFISA-N -1 3 313.360 3.837 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2noc3c2C[C@H](C)CC3)s1 ZINC000434247639 338213363 /nfs/dbraw/zinc/21/33/63/338213363.db2.gz XZLKRGDKHPSEOQ-SECBINFHSA-N -1 3 315.398 3.547 20 30 DHEDHM C=C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436539754 338276149 /nfs/dbraw/zinc/27/61/49/338276149.db2.gz ZNXDWBMJRCPZAI-UHFFFAOYSA-N -1 3 307.393 3.775 20 30 DHEDHM CCOc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436548748 338276510 /nfs/dbraw/zinc/27/65/10/338276510.db2.gz RUGOLDUAQZIXKW-UHFFFAOYSA-N -1 3 310.353 3.532 20 30 DHEDHM COc1ccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000436929178 338294024 /nfs/dbraw/zinc/29/40/24/338294024.db2.gz USAOGIBMZWGVDP-QGZVFWFLSA-N -1 3 324.380 3.566 20 30 DHEDHM CC[C@H](CC#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436963758 338296113 /nfs/dbraw/zinc/29/61/13/338296113.db2.gz HASCYYHJZXXPAN-CYBMUJFWSA-N -1 3 310.353 3.607 20 30 DHEDHM N#CCC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436998186 338297254 /nfs/dbraw/zinc/29/72/54/338297254.db2.gz IDZZPVSLEAVIBL-UHFFFAOYSA-N -1 3 322.364 3.608 20 30 DHEDHM Cc1sc([N-]C(=O)c2cc(F)c(F)cc2F)c(C#N)c1C ZINC000447045098 338543605 /nfs/dbraw/zinc/54/36/05/338543605.db2.gz SQTJZRGAMHWJHQ-UHFFFAOYSA-N -1 3 310.300 3.906 20 30 DHEDHM N#Cc1cscc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000459840871 339049848 /nfs/dbraw/zinc/04/98/48/339049848.db2.gz BSEUVJIJIIKBEO-UHFFFAOYSA-N -1 3 313.407 3.684 20 30 DHEDHM CCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)co1 ZINC000544361372 341078207 /nfs/dbraw/zinc/07/82/07/341078207.db2.gz XMTOPVBBKKXGSK-VIFPVBQESA-N -1 3 315.398 3.547 20 30 DHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000555528897 341484365 /nfs/dbraw/zinc/48/43/65/341484365.db2.gz WPQDOSUFEOGAKM-UHFFFAOYSA-N -1 3 321.229 3.675 20 30 DHEDHM Cc1nsc([N-]C(=O)N(C)c2cccc(C)c2C)c1C#N ZINC000566628734 341563643 /nfs/dbraw/zinc/56/36/43/341563643.db2.gz SXWMCDISYPIBRN-UHFFFAOYSA-N -1 3 300.387 3.608 20 30 DHEDHM Cc1ccccc1C1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822351758 599337372 /nfs/dbraw/zinc/33/73/72/599337372.db2.gz PZGSLTZVVRMNLX-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM Cc1ccccc1C1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822351758 599337373 /nfs/dbraw/zinc/33/73/73/599337373.db2.gz PZGSLTZVVRMNLX-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822230490 607458305 /nfs/dbraw/zinc/45/83/05/607458305.db2.gz IFQKPLNREZPART-FPLPWBNLSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822230490 607458306 /nfs/dbraw/zinc/45/83/06/607458306.db2.gz IFQKPLNREZPART-FPLPWBNLSA-N -1 3 322.343 3.519 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000827716763 601297335 /nfs/dbraw/zinc/29/73/35/601297335.db2.gz AUSDMTYKVBYCIH-BZNIZROVSA-N -1 3 314.772 3.688 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403152 607528359 /nfs/dbraw/zinc/52/83/59/607528359.db2.gz LDFKWBIMLANRHC-KTKRTIGZSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403152 607528360 /nfs/dbraw/zinc/52/83/60/607528360.db2.gz LDFKWBIMLANRHC-KTKRTIGZSA-N -1 3 316.320 3.509 20 30 DHEDHM C[C@@H]1CC(=Cc2cccc(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824860469 607681042 /nfs/dbraw/zinc/68/10/42/607681042.db2.gz UYTUVYAOVNWZHR-QJMZJAKPSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2cccc(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824860469 607681043 /nfs/dbraw/zinc/68/10/43/607681043.db2.gz UYTUVYAOVNWZHR-QJMZJAKPSA-N -1 3 316.364 3.640 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(C)s1 ZINC000822162033 606303920 /nfs/dbraw/zinc/30/39/20/606303920.db2.gz WQAKPFKRCQMWDO-ONEGZZNKSA-N -1 3 316.411 3.503 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(C)s1 ZINC000822162033 606303921 /nfs/dbraw/zinc/30/39/21/606303921.db2.gz WQAKPFKRCQMWDO-ONEGZZNKSA-N -1 3 316.411 3.503 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000826402477 607883938 /nfs/dbraw/zinc/88/39/38/607883938.db2.gz VJOUMLHOSQZKRU-MDZDMXLPSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000826402477 607883939 /nfs/dbraw/zinc/88/39/39/607883939.db2.gz VJOUMLHOSQZKRU-MDZDMXLPSA-N -1 3 316.320 3.509 20 30 DHEDHM C=C(C)CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001573294062 946977259 /nfs/dbraw/zinc/97/72/59/946977259.db2.gz SLHQDRDHWTUJFX-UHFFFAOYSA-N -1 3 314.336 3.944 20 30 DHEDHM C=C(C)CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001573294062 946977268 /nfs/dbraw/zinc/97/72/68/946977268.db2.gz SLHQDRDHWTUJFX-UHFFFAOYSA-N -1 3 314.336 3.944 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826284757 947816926 /nfs/dbraw/zinc/81/69/26/947816926.db2.gz DTNAYWJSAABCHH-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826284757 947816935 /nfs/dbraw/zinc/81/69/35/947816935.db2.gz DTNAYWJSAABCHH-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000826285459 947820782 /nfs/dbraw/zinc/82/07/82/947820782.db2.gz AIDXAXQLPFWLNP-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1C ZINC000826285459 947820787 /nfs/dbraw/zinc/82/07/87/947820787.db2.gz AIDXAXQLPFWLNP-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM N#CC1(CCCCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCC1 ZINC000903706762 956900836 /nfs/dbraw/zinc/90/08/36/956900836.db2.gz MQNHVHCHEVOVFH-KRWDZBQOSA-N -1 3 312.413 3.535 20 30 DHEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCC1 ZINC000846784346 1032071184 /nfs/dbraw/zinc/07/11/84/1032071184.db2.gz LNUOWPCAVCRRPP-UHFFFAOYSA-N -1 3 322.355 3.518 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cn3cc(Cl)ccc3n2)ccc1[O-] ZINC000728231670 1013277924 /nfs/dbraw/zinc/27/79/24/1013277924.db2.gz MZYXXXWMRUSPQZ-GQCTYLIASA-N -1 3 312.756 3.898 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000728231130 1013286355 /nfs/dbraw/zinc/28/63/55/1013286355.db2.gz IEWVHHLFZIAMDX-CLFYSBASSA-N -1 3 318.376 3.842 20 30 DHEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c(Cl)c1 ZINC000441370716 1013725842 /nfs/dbraw/zinc/72/58/42/1013725842.db2.gz IIVKHVOJYMHMDT-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000610366432 1013996430 /nfs/dbraw/zinc/99/64/30/1013996430.db2.gz BCXKFISRXUMDJK-ZDUSSCGKSA-N -1 3 308.381 3.878 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1COC2(CCCCC2)O1 ZINC000588384499 1014260799 /nfs/dbraw/zinc/26/07/99/1014260799.db2.gz HYRXODNUXZLCEM-WXARJGPPSA-N -1 3 309.793 3.540 20 30 DHEDHM C=CC[C@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000656760051 975686128 /nfs/dbraw/zinc/68/61/28/975686128.db2.gz OZBMKFPVWMZEPJ-XHDPSFHLSA-N -1 3 311.784 3.893 20 30 DHEDHM N#CC(=C([O-])c1nccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000113650915 1014881022 /nfs/dbraw/zinc/88/10/22/1014881022.db2.gz REBXSJIRPOLTKB-AWEZNQCLSA-N -1 3 312.332 3.601 20 30 DHEDHM CN1C(=O)CCc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000255384693 1015513343 /nfs/dbraw/zinc/51/33/43/1015513343.db2.gz FKEFWHNZBWPXLE-UHFFFAOYSA-N -1 3 314.772 3.705 20 30 DHEDHM C[C@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1c[nH]c2ccccc21 ZINC001171256266 1032118936 /nfs/dbraw/zinc/11/89/36/1032118936.db2.gz ULDVKAPLDZZWKK-CYBMUJFWSA-N -1 3 319.364 3.643 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)ccc1[O-] ZINC000588450056 1015660800 /nfs/dbraw/zinc/66/08/00/1015660800.db2.gz JPPVPUQYWWIQNU-DAXSKMNVSA-N -1 3 313.309 3.514 20 30 DHEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc([O-])c(F)c1 ZINC000728427050 1016067865 /nfs/dbraw/zinc/06/78/65/1016067865.db2.gz GQNMODPOLJLKPN-UHFFFAOYSA-N -1 3 317.389 3.550 20 30 DHEDHM COc1ccc2oc(C([O-])=C(C#N)c3ccccn3)c(C)c2c1 ZINC000072590975 1016653137 /nfs/dbraw/zinc/65/31/37/1016653137.db2.gz GOLWBPZAPXFNFJ-CQSZACIVSA-N -1 3 306.321 3.635 20 30 DHEDHM COc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362175416 1032260500 /nfs/dbraw/zinc/26/05/00/1032260500.db2.gz AENPYRBMTNCNQV-LBPRGKRZSA-N -1 3 320.270 3.599 20 30 DHEDHM CC(C)c1cc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)no1 ZINC001147486453 1032318539 /nfs/dbraw/zinc/31/85/39/1032318539.db2.gz DRJRFWFGJFHRJJ-UHFFFAOYSA-N -1 3 307.712 3.714 20 30 DHEDHM C=C[C@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000089508858 1032346982 /nfs/dbraw/zinc/34/69/82/1032346982.db2.gz UIVFSUBBBIUPCH-CYBMUJFWSA-N -1 3 322.368 3.672 20 30 DHEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000049456606 1017096850 /nfs/dbraw/zinc/09/68/50/1017096850.db2.gz MGSALSNOEOONCG-CYBMUJFWSA-N -1 3 323.352 3.777 20 30 DHEDHM C=CCN(CCc1ccccc1)C(=O)c1cccc(CC)c1[O-] ZINC000537638690 1032492306 /nfs/dbraw/zinc/49/23/06/1032492306.db2.gz SFJUIXGEQKFRSB-UHFFFAOYSA-N -1 3 309.409 3.826 20 30 DHEDHM Cc1ccc(/C=C/c2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc2)cc1 ZINC001171365526 1032517826 /nfs/dbraw/zinc/51/78/26/1032517826.db2.gz BDLWYWLIHWOKDP-KGYUPJBRSA-N -1 3 322.408 3.813 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(F)F)cc2F)nc(C)n1 ZINC000654969951 1012219903 /nfs/dbraw/zinc/21/99/03/1012219903.db2.gz QJNUBIXAKITYDD-GFCCVEGCSA-N -1 3 319.286 3.660 20 30 DHEDHM CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)c1ccccc1OC ZINC000857593806 1032615370 /nfs/dbraw/zinc/61/53/70/1032615370.db2.gz AHJZPHMKMMELCR-UHFFFAOYSA-N -1 3 324.371 3.766 20 30 DHEDHM O=C(CCc1cc(Cl)cs1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000076583628 1017401498 /nfs/dbraw/zinc/40/14/98/1017401498.db2.gz RVQLFUMUYGOQND-UHFFFAOYSA-N -1 3 324.715 3.759 20 30 DHEDHM O=C(CCc1cc(Cl)cs1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000076583628 1017401506 /nfs/dbraw/zinc/40/15/06/1017401506.db2.gz RVQLFUMUYGOQND-UHFFFAOYSA-N -1 3 324.715 3.759 20 30 DHEDHM CCOc1cc(C=NNc2cc(C)ccn2)cc(Cl)c1[O-] ZINC000755906605 1018920988 /nfs/dbraw/zinc/92/09/88/1018920988.db2.gz NNGFLAHORBKGNF-UHFFFAOYSA-N -1 3 305.765 3.594 20 30 DHEDHM N#Cc1cnnc(-c2ccccc2)c1Nc1cc(F)cc(F)c1[O-] ZINC001212481945 1019430063 /nfs/dbraw/zinc/43/00/63/1019430063.db2.gz SIDHPZLQCLPSRA-UHFFFAOYSA-N -1 3 324.290 3.743 20 30 DHEDHM CCc1cccc(C(=O)N(CCC#N)c2ccc(F)cc2)c1[O-] ZINC000611280591 1019435713 /nfs/dbraw/zinc/43/57/13/1019435713.db2.gz NPCSMFMYMKDLOX-UHFFFAOYSA-N -1 3 312.344 3.654 20 30 DHEDHM CO[C@H]1CCCC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000132357745 1019628152 /nfs/dbraw/zinc/62/81/52/1019628152.db2.gz ZHKIIUHHAGUREG-OGPJEXMGSA-N -1 3 312.207 3.531 20 30 DHEDHM CCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)C1CCCCC1 ZINC000728174744 1019912862 /nfs/dbraw/zinc/91/28/62/1019912862.db2.gz ZXWVDRGELPLPNI-PBGVMVHZSA-N -1 3 304.434 3.756 20 30 DHEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000613292773 1020892115 /nfs/dbraw/zinc/89/21/15/1020892115.db2.gz WNYKJBBVSRPTOV-OAHLLOKOSA-N -1 3 320.323 3.873 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](CC2CC2)c2ccccc2)c1[O-] ZINC000741843219 1021060387 /nfs/dbraw/zinc/06/03/87/1021060387.db2.gz JYPOJTGOTRCJRP-NIQDBXHUSA-N -1 3 310.397 3.548 20 30 DHEDHM N#CC(=C([O-])c1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000176459332 1021130228 /nfs/dbraw/zinc/13/02/28/1021130228.db2.gz GQZBIRAJLDEMGD-CYBMUJFWSA-N -1 3 307.740 3.773 20 30 DHEDHM C[C@@H]1Cc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116536 1021179704 /nfs/dbraw/zinc/17/97/04/1021179704.db2.gz ZZMUBIWOTHIGOC-QMTHXVAHSA-N -1 3 324.405 3.834 20 30 DHEDHM CCCCCCCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782986929 1021525130 /nfs/dbraw/zinc/52/51/30/1021525130.db2.gz QCEKRYNMFKMJCY-UHFFFAOYSA-N -1 3 318.373 3.846 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000620304323 1022124953 /nfs/dbraw/zinc/12/49/53/1022124953.db2.gz VIGZLTRBTVCKTQ-GASCZTMLSA-N -1 3 303.377 3.564 20 30 DHEDHM C=C(C)C[C@H](C)C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000767991298 1022858542 /nfs/dbraw/zinc/85/85/42/1022858542.db2.gz SBGYFLDFEWUBLE-LBPRGKRZSA-N -1 3 312.369 3.665 20 30 DHEDHM C=CC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000617779648 1023060192 /nfs/dbraw/zinc/06/01/92/1023060192.db2.gz FYMHGGIMGIJPPJ-OAHLLOKOSA-N -1 3 305.393 3.669 20 30 DHEDHM C=CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccncc1 ZINC000769859007 1023222161 /nfs/dbraw/zinc/22/21/61/1023222161.db2.gz KAEHBNAKOHWKPO-QGZVFWFLSA-N -1 3 310.397 3.958 20 30 DHEDHM N#C[C@@]1(F)CCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000786106614 1023659981 /nfs/dbraw/zinc/65/99/81/1023659981.db2.gz JAUNPVZJYPAJSW-SFHVURJKSA-N -1 3 310.328 3.729 20 30 DHEDHM Cc1ccc2nc(/C=C3/C(=O)c4c(c(F)ccc4[O-])[C@@H]3C)cn2c1 ZINC000789130099 1023994643 /nfs/dbraw/zinc/99/46/43/1023994643.db2.gz ZNNRQGALTRMXDL-ZTFCMROMSA-N -1 3 322.339 3.871 20 30 DHEDHM COC[C@@H](Cc1ccccc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000746815053 1024086943 /nfs/dbraw/zinc/08/69/43/1024086943.db2.gz FPNGUNRSNSASQJ-VXIUPONVSA-N -1 3 303.789 3.722 20 30 DHEDHM CC(=NNc1ncccc1C)c1cc(Br)ccc1[O-] ZINC000790189919 1024238975 /nfs/dbraw/zinc/23/89/75/1024238975.db2.gz DUVIOPZRUPSXJR-UHFFFAOYSA-N -1 3 320.190 3.694 20 30 DHEDHM CCOc1cc(C=NNc2ncccc2C)cc(Cl)c1[O-] ZINC000790184722 1024246432 /nfs/dbraw/zinc/24/64/32/1024246432.db2.gz APRHVYAXPOQSPB-UHFFFAOYSA-N -1 3 305.765 3.594 20 30 DHEDHM C=CCCN(OCc1ccccc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000790347975 1024285626 /nfs/dbraw/zinc/28/56/26/1024285626.db2.gz QKQGGAVCDXAVAK-OAHLLOKOSA-N -1 3 313.401 3.562 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccnn2-c2ccccc2)ccc1[O-] ZINC000790600710 1024333848 /nfs/dbraw/zinc/33/38/48/1024333848.db2.gz LRRPSRMTBKNPQF-CSKARUKUSA-N -1 3 304.349 3.782 20 30 DHEDHM CCSc1cccc(F)c1[N-]C(=O)c1ncc(C#N)cc1C ZINC001274597282 1024564760 /nfs/dbraw/zinc/56/47/60/1024564760.db2.gz ZHKJPHROJSKZKX-UHFFFAOYSA-N -1 3 315.373 3.765 20 30 DHEDHM C[C@@]1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCc2ccccc2C1 ZINC000079700590 1024635021 /nfs/dbraw/zinc/63/50/21/1024635021.db2.gz AZXJMJVYUHTILO-CQSZACIVSA-N -1 3 324.306 3.607 20 30 DHEDHM C[C@@]1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCc2ccccc2C1 ZINC000079700590 1024635028 /nfs/dbraw/zinc/63/50/28/1024635028.db2.gz AZXJMJVYUHTILO-CQSZACIVSA-N -1 3 324.306 3.607 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(C#N)cc1F ZINC000772797702 1024681568 /nfs/dbraw/zinc/68/15/68/1024681568.db2.gz PMHYBCRYGAVQJK-JBBGTMGVSA-N -1 3 311.287 3.925 20 30 DHEDHM C=CC[C@H](Oc1cc(O)cc([O-])c1Br)C(C)C ZINC001229096716 1025316153 /nfs/dbraw/zinc/31/61/53/1025316153.db2.gz INPOWYSBZJOIKN-NSHDSACASA-N -1 3 301.180 3.840 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cccc(-n3cccn3)c2)ccc1[O-] ZINC000760266477 1025963595 /nfs/dbraw/zinc/96/35/95/1025963595.db2.gz VFAWZTBFOZJPOS-VURMDHGXSA-N -1 3 304.349 3.782 20 30 DHEDHM C#CCOc1ccccc1-c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000809395956 1026527374 /nfs/dbraw/zinc/52/73/74/1026527374.db2.gz VTIQNDRLDZOWKQ-UHFFFAOYSA-N -1 3 320.348 3.684 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCCC23CCCC3)c1[O-] ZINC000812444621 1027282868 /nfs/dbraw/zinc/28/28/68/1027282868.db2.gz KBVNCQOEQDINRU-IWEBCOIVSA-N -1 3 302.418 3.510 20 30 DHEDHM C#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000812749300 1027388678 /nfs/dbraw/zinc/38/86/78/1027388678.db2.gz KFAQKHRHZZFHLV-SFHVURJKSA-N -1 3 319.335 3.789 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000934790999 1028109694 /nfs/dbraw/zinc/10/96/94/1028109694.db2.gz IUNBPAYUWKMOCL-WDEREUQCSA-N -1 3 309.435 3.532 20 30 DHEDHM N#Cc1ccc(CNN=Cc2ccc3ccccc3c2[O-])cc1 ZINC000814882009 1028277776 /nfs/dbraw/zinc/27/77/76/1028277776.db2.gz AKCDHLYHASPGLB-UHFFFAOYSA-N -1 3 301.349 3.541 20 30 DHEDHM CCc1cccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000566133762 1028681082 /nfs/dbraw/zinc/68/10/82/1028681082.db2.gz LOROCRLBQQOAGA-ZDUSSCGKSA-N -1 3 308.381 3.659 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cc(Cl)c(Cl)n2C)n1 ZINC000041515758 1028741776 /nfs/dbraw/zinc/74/17/76/1028741776.db2.gz OBYJONLJPFGJRB-SSDOTTSWSA-N -1 3 314.197 3.587 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1ccco1)c1ccccc1OC ZINC000816774960 1029002636 /nfs/dbraw/zinc/00/26/36/1029002636.db2.gz IGNXTXWVHFDKHM-OAHLLOKOSA-N -1 3 321.323 3.705 20 30 DHEDHM CC[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000817706635 1029231472 /nfs/dbraw/zinc/23/14/72/1029231472.db2.gz DLOGQIIBFBPQHE-AMCJRTCWSA-N -1 3 312.207 3.531 20 30 DHEDHM CCOc1cccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794934031 1030387403 /nfs/dbraw/zinc/38/74/03/1030387403.db2.gz FLBBCMNKAFEVQM-SOFGYWHQSA-N -1 3 304.292 3.965 20 30 DHEDHM COc1ccc(C)cc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794939361 1030392337 /nfs/dbraw/zinc/39/23/37/1030392337.db2.gz RQXJINQEMDJRAF-XQRVVYSFSA-N -1 3 304.292 3.884 20 30 DHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc2c(c1)COC2 ZINC000794942909 1030420831 /nfs/dbraw/zinc/42/08/31/1030420831.db2.gz SESGZSCRVOYRCF-HWKANZROSA-N -1 3 302.276 3.597 20 30 DHEDHM N#CCOc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001212612366 1030936367 /nfs/dbraw/zinc/93/63/67/1030936367.db2.gz RBGNBVCWHLONFV-UHFFFAOYSA-N -1 3 319.158 3.801 20 30 DHEDHM C=C[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871214318 1031165231 /nfs/dbraw/zinc/16/52/31/1031165231.db2.gz MHDFIBDJQSTOLQ-GFCCVEGCSA-N -1 3 301.308 3.737 20 30 DHEDHM [O-]/N=C/c1cccc(NCc2cc(Br)ccc2O)c1 ZINC001171178118 1031555332 /nfs/dbraw/zinc/55/53/32/1031555332.db2.gz QIVTUESBUOQPEY-CAOOACKPSA-N -1 3 321.174 3.575 20 30 DHEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccc(Cl)c2C#N)n1 ZINC000360946218 1031636168 /nfs/dbraw/zinc/63/61/68/1031636168.db2.gz LGELEWQVCRGKLS-VIFPVBQESA-N -1 3 305.790 3.869 20 30 DHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H](F)c1ccccc1 ZINC000845843343 1031739577 /nfs/dbraw/zinc/73/95/77/1031739577.db2.gz CILDONAEPZGYSG-DLBZAZTESA-N -1 3 321.351 3.707 20 30 DHEDHM N#CC(C(=O)[C@H](F)c1ccccc1)=C([O-])C1(c2ccccc2)CC1 ZINC000845843343 1031739597 /nfs/dbraw/zinc/73/95/97/1031739597.db2.gz CILDONAEPZGYSG-DLBZAZTESA-N -1 3 321.351 3.707 20 30 DHEDHM O=C(/C=C/C(=O)c1ccccc1)Nc1cc2ccccc2cc1[O-] ZINC001144708995 1031872453 /nfs/dbraw/zinc/87/24/53/1031872453.db2.gz TUUPHECQDUHBPV-ZHACJKMWSA-N -1 3 317.344 3.923 20 30 DHEDHM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000361529373 1031972123 /nfs/dbraw/zinc/97/21/23/1031972123.db2.gz DWDZTSAZCBUTOX-INIZCTEOSA-N -1 3 317.304 3.633 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000846544066 1031994487 /nfs/dbraw/zinc/99/44/87/1031994487.db2.gz UKRKTKWNCMPIIF-LBPRGKRZSA-N -1 3 304.415 3.631 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000846543883 1031995517 /nfs/dbraw/zinc/99/55/17/1031995517.db2.gz CWOMDMMSEPLTCB-GHMZBOCLSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000846551149 1031997274 /nfs/dbraw/zinc/99/72/74/1031997274.db2.gz RHWGYKVRTMQACV-AWEZNQCLSA-N -1 3 303.402 3.563 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000846547535 1031998148 /nfs/dbraw/zinc/99/81/48/1031998148.db2.gz AOHJIISFTXDEQI-HNNXBMFYSA-N -1 3 303.402 3.587 20 30 DHEDHM N#CC(=C([O-])c1cc2[nH]ccc2s1)c1nc2ccccc2[nH]1 ZINC000361657355 1032043053 /nfs/dbraw/zinc/04/30/53/1032043053.db2.gz VTVRHDYRYWSWDH-SECBINFHSA-N -1 3 306.350 3.596 20 30 DHEDHM N#Cc1ccc(-c2noc(-c3cncc([O-])c3)n2)c2ccccc12 ZINC001212708638 1033572442 /nfs/dbraw/zinc/57/24/42/1033572442.db2.gz MUHBMRQAJPPPRF-UHFFFAOYSA-N -1 3 314.304 3.529 20 30 DHEDHM C#CC[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000862571368 1033896152 /nfs/dbraw/zinc/89/61/52/1033896152.db2.gz SAIWQKHLNJCZKF-OAHLLOKOSA-N -1 3 321.376 3.670 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2cccc(Cl)c2F)c1F ZINC000794499638 1034028845 /nfs/dbraw/zinc/02/88/45/1034028845.db2.gz MOXPGBZVHVUASY-UHFFFAOYSA-N -1 3 300.667 3.909 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cccc(C(=O)NC3CCCC3)c2)c1 ZINC001174200021 1034217230 /nfs/dbraw/zinc/21/72/30/1034217230.db2.gz UWLITBBTOWNIDE-UHFFFAOYSA-N -1 3 321.380 3.680 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCOC12CCCC2 ZINC000899231513 1034523771 /nfs/dbraw/zinc/52/37/71/1034523771.db2.gz FPAXVIQDQWJBNK-FBJMNJBLSA-N -1 3 324.218 3.675 20 30 DHEDHM COc1ccc2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc2c1 ZINC001174823163 1034621408 /nfs/dbraw/zinc/62/14/08/1034621408.db2.gz GNLSIYNGJSYMHE-UHFFFAOYSA-N -1 3 318.332 3.678 20 30 DHEDHM O=C(Cc1ccoc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000899895298 1034953597 /nfs/dbraw/zinc/95/35/97/1034953597.db2.gz QWTCDKYKLRFPIL-UHFFFAOYSA-N -1 3 300.141 3.547 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC001175385109 1034962889 /nfs/dbraw/zinc/96/28/89/1034962889.db2.gz HFPSEIMMXLLHED-UHFFFAOYSA-N -1 3 300.186 3.703 20 30 DHEDHM COC(=O)c1scc(C#N)c1Nc1cc([O-])cc(Cl)c1 ZINC001176621775 1035302621 /nfs/dbraw/zinc/30/26/21/1035302621.db2.gz IMPVJBYHDBOPBX-UHFFFAOYSA-N -1 3 308.746 3.509 20 30 DHEDHM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)C1(CCF)CC1 ZINC000904181256 1035378826 /nfs/dbraw/zinc/37/88/26/1035378826.db2.gz RUNUBIHYLPQIHZ-UHFFFAOYSA-N -1 3 306.164 3.851 20 30 DHEDHM Cc1nccn1CCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171631 1035380902 /nfs/dbraw/zinc/38/09/02/1035380902.db2.gz XZXQIYWEMSPUGU-UHFFFAOYSA-N -1 3 323.396 3.543 20 30 DHEDHM O=C(C1CCC(C(F)(F)F)CC1)N([O-])Cc1ccc(F)cc1 ZINC000904173856 1035381837 /nfs/dbraw/zinc/38/18/37/1035381837.db2.gz RLKPJDVLJRCLDX-UHFFFAOYSA-N -1 3 319.298 3.912 20 30 DHEDHM CCCCN([O-])C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000904208845 1035382912 /nfs/dbraw/zinc/38/29/12/1035382912.db2.gz LKQIRORAQDXZSA-UHFFFAOYSA-N -1 3 302.374 3.682 20 30 DHEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)cnn1C(C)(C)C ZINC000904188746 1035382980 /nfs/dbraw/zinc/38/29/80/1035382980.db2.gz MGUYDGPDEYQLGC-UHFFFAOYSA-N -1 3 321.808 3.632 20 30 DHEDHM CC[C@H]1C[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191113 1035383927 /nfs/dbraw/zinc/38/39/27/1035383927.db2.gz UEMQBTSSHUZKDV-JSGCOSHPSA-N -1 3 311.809 3.653 20 30 DHEDHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904190817 1035384050 /nfs/dbraw/zinc/38/40/50/1035384050.db2.gz QWGMIWOABCJSIV-JTQLQIEISA-N -1 3 321.808 3.592 20 30 DHEDHM CCCCN([O-])C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000904212776 1035386845 /nfs/dbraw/zinc/38/68/45/1035386845.db2.gz UNBNODODVNLWTE-HNNXBMFYSA-N -1 3 319.449 3.511 20 30 DHEDHM Cc1ccc2c(/C=C/C(=O)Nc3ccc([O-])c(C#N)c3)c[nH]c2c1 ZINC001178493394 1035428673 /nfs/dbraw/zinc/42/86/73/1035428673.db2.gz QGGBZYNMSDXYKQ-XVNBXDOJSA-N -1 3 317.348 3.706 20 30 DHEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485146757 1035478884 /nfs/dbraw/zinc/47/88/84/1035478884.db2.gz YNKHOVROCBDAIZ-UHFFFAOYSA-N -1 3 322.368 3.925 20 30 DHEDHM C=CCCC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905726766 1035630749 /nfs/dbraw/zinc/63/07/49/1035630749.db2.gz YJQISIYVKGSCPX-GOSISDBHSA-N -1 3 310.397 3.967 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1nc[n-]c1C(=O)OCC ZINC001181111599 1035833811 /nfs/dbraw/zinc/83/38/11/1035833811.db2.gz GEKAEWIHZBPLAY-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1[n-]cnc1C(=O)OCC ZINC001181111599 1035833838 /nfs/dbraw/zinc/83/38/38/1035833838.db2.gz GEKAEWIHZBPLAY-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001194424988 1035928203 /nfs/dbraw/zinc/92/82/03/1035928203.db2.gz NZFKSFSYQPIOJK-UHFFFAOYSA-N -1 3 317.401 3.544 20 30 DHEDHM N#Cc1nc(Cl)c([N-]c2c(Cl)cccc2Cl)nc1C#N ZINC001250029615 1036055750 /nfs/dbraw/zinc/05/57/50/1036055750.db2.gz VNTUJSYRZPKJKJ-UHFFFAOYSA-N -1 3 324.558 3.924 20 30 DHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccccc3)CCCC2)c1[O-] ZINC000027067360 1036086525 /nfs/dbraw/zinc/08/65/25/1036086525.db2.gz BSRYHIWRCWARER-CIAFOILYSA-N -1 3 324.424 3.519 20 30 DHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccsc1 ZINC000130162977 1036431589 /nfs/dbraw/zinc/43/15/89/1036431589.db2.gz MEVKJKBHGNOMSA-JTQLQIEISA-N -1 3 322.748 3.502 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000762436746 1036757336 /nfs/dbraw/zinc/75/73/36/1036757336.db2.gz QEWBVVXZWMCCBY-ZMCKQAEWSA-N -1 3 313.875 3.844 20 30 DHEDHM Cc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC001184272732 1036780325 /nfs/dbraw/zinc/78/03/25/1036780325.db2.gz LFIYBSMNRSYZOO-UHFFFAOYSA-N -1 3 320.732 3.588 20 30 DHEDHM CC(C)CCO[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293067 1036805672 /nfs/dbraw/zinc/80/56/72/1036805672.db2.gz CYIAJIYVAYEWPG-INIZCTEOSA-N -1 3 307.434 3.678 20 30 DHEDHM O=C(Cc1ccc(-n2cccc2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001184348411 1036821794 /nfs/dbraw/zinc/82/17/94/1036821794.db2.gz NUWNDGKLJLJKHV-UHFFFAOYSA-N -1 3 324.355 3.577 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(C)ccc2C)c(OC)cc1[O-] ZINC000763105539 1037256928 /nfs/dbraw/zinc/25/69/28/1037256928.db2.gz LTTPFTBFPJGXPR-BQYQJAHWSA-N -1 3 312.365 3.922 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=NNCc1cccc2cccnc21 ZINC000915960079 1037617730 /nfs/dbraw/zinc/61/77/30/1037617730.db2.gz XNTDZJLUISCDIH-UHFFFAOYSA-N -1 3 311.772 3.718 20 30 DHEDHM Cc1ccc(C(C)C)c([O-])c1C(=O)NC1=CC(=O)CC(C)(C)C1 ZINC001188188037 1037840124 /nfs/dbraw/zinc/84/01/24/1037840124.db2.gz UABOZTDFJMCXGP-UHFFFAOYSA-N -1 3 315.413 3.827 20 30 DHEDHM COc1ccc(NC(=O)Nc2ccc([O-])cc2C#N)cc1Cl ZINC001188474098 1037909213 /nfs/dbraw/zinc/90/92/13/1037909213.db2.gz BBQVMONXVJEXCJ-UHFFFAOYSA-N -1 3 317.732 3.570 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2c(C)cccc2C(F)(F)F)CC1 ZINC001190806900 1038387563 /nfs/dbraw/zinc/38/75/63/1038387563.db2.gz WTOKTTMRRLXJIL-UHFFFAOYSA-N -1 3 319.348 3.864 20 30 DHEDHM CC(C)(C)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC001192314425 1038625026 /nfs/dbraw/zinc/62/50/26/1038625026.db2.gz PJVLJUHAOYBHAX-INIZCTEOSA-N -1 3 308.381 3.684 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)co1 ZINC000590999643 1038741534 /nfs/dbraw/zinc/74/15/34/1038741534.db2.gz PXGQIQHBHWAOQQ-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000599615451 1039228555 /nfs/dbraw/zinc/22/85/55/1039228555.db2.gz ZWPCDJVNSLIWPH-DLBZAZTESA-N -1 3 320.392 3.613 20 30 DHEDHM N#CC1(c2ccc(C=Cc3cc(=O)[n-]c(C4CC4)n3)cc2)CC1 ZINC000594695755 1039903574 /nfs/dbraw/zinc/90/35/74/1039903574.db2.gz IXNZBVGXTKWPCQ-FPYGCLRLSA-N -1 3 303.365 3.785 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000602231920 1040919309 /nfs/dbraw/zinc/91/93/09/1040919309.db2.gz SHGDKZWNGHIECP-SECBINFHSA-N -1 3 315.398 3.547 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000602344045 1040989824 /nfs/dbraw/zinc/98/98/24/1040989824.db2.gz SSDUUVVLZDWFTE-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM C[C@]1(C#N)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000598419009 1041255446 /nfs/dbraw/zinc/25/54/46/1041255446.db2.gz ZUHZZWAAJZSORC-LJQANCHMSA-N -1 3 322.364 3.560 20 30 DHEDHM C=CCOc1cccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618977 335013091 /nfs/dbraw/zinc/01/30/91/335013091.db2.gz KEBZPGRAYQVLQF-RTBURBONSA-N -1 3 323.392 3.654 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)cc(Cl)c1OC ZINC000417625464 335015673 /nfs/dbraw/zinc/01/56/73/335015673.db2.gz MIRYBJCSTUUYAS-LLVKDONJSA-N -1 3 318.200 3.511 20 30 DHEDHM N#Cc1c([N-]C(=O)c2ccsn2)sc2c1CCCCCC2 ZINC000298615715 132070502 /nfs/dbraw/zinc/07/05/02/132070502.db2.gz RWIDPCVSYVWMME-UHFFFAOYSA-N -1 3 317.439 3.988 20 30 DHEDHM CCOc1cc(CN2CCC(CCC#N)CC2)cc(Cl)c1[O-] ZINC000563159135 333404698 /nfs/dbraw/zinc/40/46/98/333404698.db2.gz XHTUIBQRHXCZND-UHFFFAOYSA-N -1 3 322.836 3.960 20 30 DHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ncncc2Cl)s1 ZINC000411007626 333619866 /nfs/dbraw/zinc/61/98/66/333619866.db2.gz OPCMROUFZOQWGB-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM C=CCN(Cc1ccc(Cl)s1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411135465 333636959 /nfs/dbraw/zinc/63/69/59/333636959.db2.gz NDIYJUIBKOFZNC-LLVKDONJSA-N -1 3 323.849 3.955 20 30 DHEDHM CCCN1C(=O)CCc2cc(/N=C/c3cccc([O-])c3O)ccc21 ZINC000271587853 334024561 /nfs/dbraw/zinc/02/45/61/334024561.db2.gz XTAXQFJTGQBZLM-UDWIEESQSA-N -1 3 324.380 3.538 20 30 DHEDHM CC(C)(C#N)CCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000277480292 334088594 /nfs/dbraw/zinc/08/85/94/334088594.db2.gz BPEREIYSDNXJCA-UHFFFAOYSA-N -1 3 301.419 3.679 20 30 DHEDHM CCOc1cc(CN(CC#N)C2CCCC2)cc(Cl)c1[O-] ZINC000284018010 334142118 /nfs/dbraw/zinc/14/21/18/334142118.db2.gz KOFWWJIQGYDPDC-UHFFFAOYSA-N -1 3 308.809 3.712 20 30 DHEDHM CCC[C@@H](C)C(=O)NCC/N=C/c1c([O-])ccc2ccccc21 ZINC000292237822 334185819 /nfs/dbraw/zinc/18/58/19/334185819.db2.gz BURFLZVVXANPJQ-GNUZOCDUSA-N -1 3 312.413 3.517 20 30 DHEDHM N#CC[C@@H]1CC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000295577583 334225259 /nfs/dbraw/zinc/22/52/59/334225259.db2.gz PSZDTUYVVDNYOQ-YOEHRIQHSA-N -1 3 322.408 3.677 20 30 DHEDHM CCCOc1ccc(/C=N/[C@H](C)COCC(F)(F)F)c([O-])c1 ZINC000299315943 334254616 /nfs/dbraw/zinc/25/46/16/334254616.db2.gz XNPNCHGPUIRSCQ-YTTILGKYSA-N -1 3 319.323 3.567 20 30 DHEDHM N#CC(=C([O-])c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000048520489 334287224 /nfs/dbraw/zinc/28/72/24/334287224.db2.gz SEPZKGSCNBJRGU-QMMMGPOBSA-N -1 3 301.758 3.768 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(CC#N)cc2)c1[O-] ZINC000534709252 334331483 /nfs/dbraw/zinc/33/14/83/334331483.db2.gz LTIXZOGZRPTWFK-UHFFFAOYSA-N -1 3 300.745 3.672 20 30 DHEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443555217 338454321 /nfs/dbraw/zinc/45/43/21/338454321.db2.gz CSHPFZKJSGPBEO-SECBINFHSA-N -1 3 303.280 3.832 20 30 DHEDHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000330424755 334781230 /nfs/dbraw/zinc/78/12/30/334781230.db2.gz ISPRIPCEHRSJKD-VHSXEESVSA-N -1 3 317.307 3.531 20 30 DHEDHM CC(C)c1ccc(C(=O)NCC2(C(N)=O)CCCC2)c([O-])c1 ZINC000331232942 334848871 /nfs/dbraw/zinc/84/88/71/334848871.db2.gz JJONSYNCQFKTNZ-UHFFFAOYSA-N -1 3 304.390 3.916 20 30 DHEDHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000344892602 335283446 /nfs/dbraw/zinc/28/34/46/335283446.db2.gz LHYGWYQRBNAWSF-VIFPVBQESA-N -1 3 321.427 3.653 20 30 DHEDHM O=C(NCCC12CC3CC(CC(C3)C1)C2)c1csc(=O)[n-]1 ZINC000329899771 336093551 /nfs/dbraw/zinc/09/35/51/336093551.db2.gz FRWZVLLQANXCCE-UHFFFAOYSA-N -1 3 306.431 3.760 20 30 DHEDHM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329959270 336099989 /nfs/dbraw/zinc/09/99/89/336099989.db2.gz RAOLXLBQJFLCJE-YGRLFVJLSA-N -1 3 302.399 3.867 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000352722767 336232531 /nfs/dbraw/zinc/23/25/31/336232531.db2.gz FVVKTRHAQZSKNQ-UHFFFAOYSA-N -1 3 316.407 3.625 20 30 DHEDHM O=C(CCC(F)(F)F)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000463693037 339123934 /nfs/dbraw/zinc/12/39/34/339123934.db2.gz KLFMGHYLWYFVBJ-JTQLQIEISA-N -1 3 317.204 3.888 20 30 DHEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000357446487 336585459 /nfs/dbraw/zinc/58/54/59/336585459.db2.gz XCFCYRBQNQLTSI-CYBMUJFWSA-N -1 3 321.163 3.694 20 30 DHEDHM C=CCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCC1 ZINC000359851158 336689609 /nfs/dbraw/zinc/68/96/09/336689609.db2.gz WUZBHGBTYWYKMX-UHFFFAOYSA-N -1 3 315.291 3.976 20 30 DHEDHM CCOc1cc(Cl)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000181411015 337184029 /nfs/dbraw/zinc/18/40/29/337184029.db2.gz RXEZOULVYQKUKR-CYBMUJFWSA-N -1 3 300.745 3.624 20 30 DHEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000182413538 337188357 /nfs/dbraw/zinc/18/83/57/337188357.db2.gz XTQJFGNIOWOEKK-AWEZNQCLSA-N -1 3 321.163 3.694 20 30 DHEDHM Cc1c(Br)scc1C([O-])=C(C#N)c1ccccn1 ZINC000187082557 337262998 /nfs/dbraw/zinc/26/29/98/337262998.db2.gz HTXKQTWJOVCRPT-SECBINFHSA-N -1 3 321.199 3.704 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC000192469853 337305344 /nfs/dbraw/zinc/30/53/44/337305344.db2.gz JZORFHIHNIMREW-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(C)C)cc3)nc1-2 ZINC000429570825 338084425 /nfs/dbraw/zinc/08/44/25/338084425.db2.gz PTWRYVMOFBXMKI-OAHLLOKOSA-N -1 3 318.380 3.880 20 30 DHEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000431270929 338127129 /nfs/dbraw/zinc/12/71/29/338127129.db2.gz UKTCLNLJOOWGHO-ZDUSSCGKSA-N -1 3 321.384 3.611 20 30 DHEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000432304658 338152557 /nfs/dbraw/zinc/15/25/57/338152557.db2.gz BMNMKKBCCJIWEP-UHFFFAOYSA-N -1 3 321.364 3.586 20 30 DHEDHM Cc1nc2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cc2s1 ZINC000433107244 338182110 /nfs/dbraw/zinc/18/21/10/338182110.db2.gz VNJUAPMYAVWNLY-ZDUSSCGKSA-N -1 3 322.393 3.502 20 30 DHEDHM N#CCSc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436532499 338275600 /nfs/dbraw/zinc/27/56/00/338275600.db2.gz KAIXIHPZKVJNTJ-UHFFFAOYSA-N -1 3 309.350 3.725 20 30 DHEDHM C=CCOc1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436544355 338276376 /nfs/dbraw/zinc/27/63/76/338276376.db2.gz JBTUFJLHPOMJGX-UHFFFAOYSA-N -1 3 313.353 3.526 20 30 DHEDHM C=CCN(CC=C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436758848 338286051 /nfs/dbraw/zinc/28/60/51/338286051.db2.gz ZWBMLQARULBEDV-UHFFFAOYSA-N -1 3 321.420 3.992 20 30 DHEDHM C=CCOc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1OC ZINC000436770635 338286691 /nfs/dbraw/zinc/28/66/91/338286691.db2.gz SCNOJKAINARHFE-UHFFFAOYSA-N -1 3 324.336 3.683 20 30 DHEDHM C=CCN(CCC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436837057 338289340 /nfs/dbraw/zinc/28/93/40/338289340.db2.gz IWPDGVWPXJCEHB-UHFFFAOYSA-N -1 3 320.392 3.525 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C#N)cc3C)nc21 ZINC000439550794 338372920 /nfs/dbraw/zinc/37/29/20/338372920.db2.gz QSEUKUYTNRSICM-OAHLLOKOSA-N -1 3 314.348 3.542 20 30 DHEDHM C=CC[C@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CCCC1(C)C ZINC000451220203 338726469 /nfs/dbraw/zinc/72/64/69/338726469.db2.gz WJECXTRVAVYHDP-MRXNPFEDSA-N -1 3 305.393 3.667 20 30 DHEDHM C=CCN(Cc1cccc([O-])c1Br)CC(F)(F)F ZINC000459317418 339020833 /nfs/dbraw/zinc/02/08/33/339020833.db2.gz AZHDCHHVMSMMSO-UHFFFAOYSA-N -1 3 324.140 3.705 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SC/C=C\c1ccc(Cl)cc1 ZINC000468471095 339263461 /nfs/dbraw/zinc/26/34/61/339263461.db2.gz TXRJOTMURFZORJ-ARJAWSKDSA-N -1 3 307.806 3.629 20 30 DHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C2CCCCC2)c1 ZINC000530141481 340780706 /nfs/dbraw/zinc/78/07/06/340780706.db2.gz XWOXIIVPOUZKIV-INIZCTEOSA-N -1 3 306.431 3.778 20 30 DHEDHM C[C@H](/N=C/c1ccccc1[O-])c1cccc(N2CCOC2=O)c1 ZINC000065829885 340831362 /nfs/dbraw/zinc/83/13/62/340831362.db2.gz YBGUCDVGAYZXST-HCZVKUGISA-N -1 3 310.353 3.529 20 30 DHEDHM CCN(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000133475845 341176243 /nfs/dbraw/zinc/17/62/43/341176243.db2.gz WBDCTXLHGFKJGI-UHFFFAOYSA-N -1 3 310.353 3.560 20 30 DHEDHM Cc1ccc(-c2ocnc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000076824216 341214512 /nfs/dbraw/zinc/21/45/12/341214512.db2.gz ITMPKRIHUSIXGU-AWEZNQCLSA-N -1 3 303.321 3.535 20 30 DHEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000552167752 341375295 /nfs/dbraw/zinc/37/52/95/341375295.db2.gz HVYRNHAOKANQTN-MRXNPFEDSA-N -1 3 314.772 3.603 20 30 DHEDHM CCCc1nc(C)c(C(=O)[N-]c2sc(CC)cc2C#N)o1 ZINC000298604304 535497128 /nfs/dbraw/zinc/49/71/28/535497128.db2.gz QRIHXFHXXJUDMM-UHFFFAOYSA-N -1 3 303.387 3.683 20 30 DHEDHM c1ccc([C@H]2CCCC2N=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738428992 598741223 /nfs/dbraw/zinc/74/12/23/598741223.db2.gz QZJKAEHJIZTOCT-MRXNPFEDSA-N -1 3 318.384 3.602 20 30 DHEDHM c1ccc([C@H]2CCCC2N=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738428992 598741224 /nfs/dbraw/zinc/74/12/24/598741224.db2.gz QZJKAEHJIZTOCT-MRXNPFEDSA-N -1 3 318.384 3.602 20 30 DHEDHM C[C@H](Nc1c(Cl)cccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820450887 599470666 /nfs/dbraw/zinc/47/06/66/599470666.db2.gz QEMATOXRHACUFX-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1c(Cl)cccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820450887 599470668 /nfs/dbraw/zinc/47/06/68/599470668.db2.gz QEMATOXRHACUFX-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM CCCCCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825270727 607435204 /nfs/dbraw/zinc/43/52/04/607435204.db2.gz CHPZOVIZYYOKSE-UHFFFAOYSA-N -1 3 315.421 3.580 20 30 DHEDHM CCCCCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825270727 607435206 /nfs/dbraw/zinc/43/52/06/607435206.db2.gz CHPZOVIZYYOKSE-UHFFFAOYSA-N -1 3 315.421 3.580 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000736660767 600422271 /nfs/dbraw/zinc/42/22/71/600422271.db2.gz BKFNWAHAYGTROI-ZBEGNZNMSA-N -1 3 314.772 3.688 20 30 DHEDHM N#Cc1ccc([C@H](NCc2csc3ccccc23)C(=O)[O-])cc1 ZINC000739106672 600595317 /nfs/dbraw/zinc/59/53/17/600595317.db2.gz OIOLTCABYRRDCY-KRWDZBQOSA-N -1 3 322.389 3.688 20 30 DHEDHM N#Cc1cccc([C@@H](NCc2csc3ccccc23)C(=O)[O-])c1 ZINC000833076482 601301422 /nfs/dbraw/zinc/30/14/22/601301422.db2.gz VUNOWBRAIMATGR-QGZVFWFLSA-N -1 3 322.389 3.688 20 30 DHEDHM C=CCSCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833378964 605780405 /nfs/dbraw/zinc/78/04/05/605780405.db2.gz ZINJEPVZFRQZSV-GFCCVEGCSA-N -1 3 320.241 3.628 20 30 DHEDHM CC(C)(C#N)CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819892207 606851190 /nfs/dbraw/zinc/85/11/90/606851190.db2.gz ZBVOOVVDUPFAHI-UHFFFAOYSA-N -1 3 307.810 3.552 20 30 DHEDHM CC(C)(C#N)CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819892207 606851192 /nfs/dbraw/zinc/85/11/92/606851192.db2.gz ZBVOOVVDUPFAHI-UHFFFAOYSA-N -1 3 307.810 3.552 20 30 DHEDHM C=C(C)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823877817 946497438 /nfs/dbraw/zinc/49/74/38/946497438.db2.gz GSUZTKVSVFTALD-UHFFFAOYSA-N -1 3 300.309 3.554 20 30 DHEDHM C=C(C)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823877817 946497448 /nfs/dbraw/zinc/49/74/48/946497448.db2.gz GSUZTKVSVFTALD-UHFFFAOYSA-N -1 3 300.309 3.554 20 30 DHEDHM C=CCC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894408 946504036 /nfs/dbraw/zinc/50/40/36/946504036.db2.gz PITLUJWPRABISG-OAHLLOKOSA-N -1 3 320.400 3.690 20 30 DHEDHM C=CCC[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894408 946504042 /nfs/dbraw/zinc/50/40/42/946504042.db2.gz PITLUJWPRABISG-OAHLLOKOSA-N -1 3 320.400 3.690 20 30 DHEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000340021031 1013202145 /nfs/dbraw/zinc/20/21/45/1013202145.db2.gz SBNYFSRFYIJGPO-AWEZNQCLSA-N -1 3 321.163 3.694 20 30 DHEDHM C#CCCCCCCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001588441275 964050830 /nfs/dbraw/zinc/05/08/30/964050830.db2.gz CJSFFCUHKAWWKW-CQSZACIVSA-N -1 3 320.458 3.870 20 30 DHEDHM COc1ncc(Cl)cc1[N-]c1onc(C(C)(C)C)c1C#N ZINC001210450936 1013862563 /nfs/dbraw/zinc/86/25/63/1013862563.db2.gz WVRLCTJZMOZORL-UHFFFAOYSA-N -1 3 306.753 3.644 20 30 DHEDHM C#CCCCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000780371500 1014927527 /nfs/dbraw/zinc/92/75/27/1014927527.db2.gz UXORSFPSRZSKNN-UHFFFAOYSA-N -1 3 310.191 3.677 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001588828993 984310595 /nfs/dbraw/zinc/31/05/95/984310595.db2.gz XHBJVWQMUSRLGR-UHFFFAOYSA-N -1 3 324.424 3.821 20 30 DHEDHM C=CCN(Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588832732 984326125 /nfs/dbraw/zinc/32/61/25/984326125.db2.gz ODAGROBLHYBLLF-GOSISDBHSA-N -1 3 324.355 3.511 20 30 DHEDHM CC(C)(CC#N)CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001590615581 990291823 /nfs/dbraw/zinc/29/18/23/990291823.db2.gz YKPSBFGPVSTCRU-UHFFFAOYSA-N -1 3 312.369 3.674 20 30 DHEDHM COc1cc(F)c(N=Cc2cc(Cl)ccc2[O-])cc1OC ZINC000255391373 1015564780 /nfs/dbraw/zinc/56/47/80/1015564780.db2.gz RXNZCPUFMKDSJC-UHFFFAOYSA-N -1 3 309.724 3.953 20 30 DHEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(C(=O)[O-])cs1 ZINC001593208480 994227148 /nfs/dbraw/zinc/22/71/48/994227148.db2.gz CLNKOGZIADJQPV-NSHDSACASA-N -1 3 312.394 3.658 20 30 DHEDHM N#Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1[O-] ZINC001144974357 1032132821 /nfs/dbraw/zinc/13/28/21/1032132821.db2.gz VSZHKFDZMZBEMK-UHFFFAOYSA-N -1 3 319.364 3.707 20 30 DHEDHM CCO[C@@H]1CCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840709361 1016471800 /nfs/dbraw/zinc/47/18/00/1016471800.db2.gz JACMESVGGJICMC-QZHSRMNUSA-N -1 3 312.207 3.531 20 30 DHEDHM CC(C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)c(Cl)c1 ZINC000588534400 1017032777 /nfs/dbraw/zinc/03/27/77/1017032777.db2.gz OSATYTIVQJQMSN-UHFFFAOYSA-N -1 3 321.760 3.995 20 30 DHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001147172200 1032282271 /nfs/dbraw/zinc/28/22/71/1032282271.db2.gz LCDRWDFFXSFLOP-WFASDCNBSA-N -1 3 305.443 3.979 20 30 DHEDHM C[C@H](C#N)c1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001148617778 1032424772 /nfs/dbraw/zinc/42/47/72/1032424772.db2.gz HTYMBUQOQKQXOU-SNVBAGLBSA-N -1 3 300.745 3.925 20 30 DHEDHM N#Cc1cccc(C2(C(=O)Nc3ccc(Cl)cc3[O-])CC2)c1 ZINC000339006787 1032675129 /nfs/dbraw/zinc/67/51/29/1032675129.db2.gz BYIPRSGQDMGUMJ-UHFFFAOYSA-N -1 3 312.756 3.588 20 30 DHEDHM N#Cc1ccc(C(=O)[N-]c2c3nsnc3ccc2Cl)s1 ZINC000776965002 1032678348 /nfs/dbraw/zinc/67/83/48/1032678348.db2.gz HAUBGYNIOBOBDQ-UHFFFAOYSA-N -1 3 320.786 3.530 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cccc(OC(F)F)c2)ccc1[O-] ZINC000255539118 1017476263 /nfs/dbraw/zinc/47/62/63/1017476263.db2.gz QJDBIIHJNCWHJP-ALCCZGGFSA-N -1 3 320.291 3.898 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCN(c2ccccn2)CC1 ZINC000255550374 1017648274 /nfs/dbraw/zinc/64/82/74/1017648274.db2.gz RKEAOFWKZFJEKO-NDENLUEZSA-N -1 3 315.804 3.529 20 30 DHEDHM CC(=NNCc1cnc2ccccc2c1)c1ccc([O-])cc1F ZINC000764777449 1018375273 /nfs/dbraw/zinc/37/52/73/1018375273.db2.gz BSJDFMYQHPRTFE-UHFFFAOYSA-N -1 3 309.344 3.593 20 30 DHEDHM Cc1cc2ccccc2n1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974106 1019312257 /nfs/dbraw/zinc/31/22/57/1019312257.db2.gz KZESKQRJBXRUOX-UHFFFAOYSA-N -1 3 321.340 3.616 20 30 DHEDHM C=CCN(CC(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471953022 1019313691 /nfs/dbraw/zinc/31/36/91/1019313691.db2.gz IWKDIYNAUOUXRK-UHFFFAOYSA-N -1 3 309.287 3.736 20 30 DHEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc([O-])cc1F ZINC000729932766 1019924994 /nfs/dbraw/zinc/92/49/94/1019924994.db2.gz LKAZDMKBKSPPMY-UHFFFAOYSA-N -1 3 310.275 3.969 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000730586937 1020007647 /nfs/dbraw/zinc/00/76/47/1020007647.db2.gz LPJJYGYPMHWQJC-ZTMOJVSCSA-N -1 3 311.356 3.981 20 30 DHEDHM N#Cc1ccc2[nH]c(-c3cc([O-])ccc3Br)nc2c1 ZINC000154236377 1020085186 /nfs/dbraw/zinc/08/51/86/1020085186.db2.gz MNANGYJMWMEXDV-UHFFFAOYSA-N -1 3 314.142 3.570 20 30 DHEDHM COc1cc(C(=O)/C=C\c2coc(-c3ccccc3)n2)ccc1[O-] ZINC000731835944 1020157183 /nfs/dbraw/zinc/15/71/83/1020157183.db2.gz WSDAVPFCFDJUGM-NTMALXAHSA-N -1 3 321.332 3.952 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cscc2C(F)F)nc(C)n1 ZINC000892475547 1020426727 /nfs/dbraw/zinc/42/67/27/1020426727.db2.gz KDYCQIZCJRUUHM-VIFPVBQESA-N -1 3 307.325 3.583 20 30 DHEDHM CC(C)C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OC(C)C ZINC000733904521 1020520166 /nfs/dbraw/zinc/52/01/66/1020520166.db2.gz YDVHVFFUHMVPEB-WXARJGPPSA-N -1 3 311.809 3.831 20 30 DHEDHM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc([O-])c(F)c1 ZINC000739421729 1020908393 /nfs/dbraw/zinc/90/83/93/1020908393.db2.gz OUFHHRFWJVPQDD-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM CCOc1cc(C=NNc2cccc(OC)c2)cc(Cl)c1[O-] ZINC000725853509 1021003260 /nfs/dbraw/zinc/00/32/60/1021003260.db2.gz SOKRLEDWSNSJCA-UHFFFAOYSA-N -1 3 320.776 3.899 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cnc3ccc(Cl)cn23)ccc1[O-] ZINC000737443102 1021039813 /nfs/dbraw/zinc/03/98/13/1021039813.db2.gz GFWQONSKQKXDTK-GQCTYLIASA-N -1 3 312.756 3.898 20 30 DHEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1C(F)(F)F ZINC000743044604 1021207551 /nfs/dbraw/zinc/20/75/51/1021207551.db2.gz MSZSINOJCJHIBI-UHFFFAOYSA-N -1 3 324.302 3.666 20 30 DHEDHM CC(C)(C#N)CCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924085478 1021593589 /nfs/dbraw/zinc/59/35/89/1021593589.db2.gz HKVVKVFBEPGFOP-UHFFFAOYSA-N -1 3 307.300 3.597 20 30 DHEDHM CC(C)CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000745976157 1021815494 /nfs/dbraw/zinc/81/54/94/1021815494.db2.gz GTKATZLEXGXZAK-UHFFFAOYSA-N -1 3 315.369 3.979 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCCCC)cc1[O-] ZINC000620304059 1022125314 /nfs/dbraw/zinc/12/53/14/1022125314.db2.gz OMLLWKCIOQRFPJ-GASCZTMLSA-N -1 3 315.413 3.894 20 30 DHEDHM [O-]c1ccc(Br)cc1C=Nc1n[nH]c2ccccc21 ZINC000920943340 1022191516 /nfs/dbraw/zinc/19/15/16/1022191516.db2.gz VXJYITFVLOIXLZ-UHFFFAOYSA-N -1 3 316.158 3.782 20 30 DHEDHM CCCn1nccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000853001916 1022193157 /nfs/dbraw/zinc/19/31/57/1022193157.db2.gz CMSASSOYOPYDDR-WJEYQPDNSA-N -1 3 300.333 3.521 20 30 DHEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])c1ccccn1 ZINC000920944287 1022194146 /nfs/dbraw/zinc/19/41/46/1022194146.db2.gz AJCGTXRDMHZFGR-LGQZLYSRSA-N -1 3 305.175 3.730 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856032577 1022740976 /nfs/dbraw/zinc/74/09/76/1022740976.db2.gz RBCCYNPIVUCGPB-NSHDSACASA-N -1 3 301.308 3.823 20 30 DHEDHM N#Cc1ccccc1COC(=O)c1cc2sccc2c([O-])c1 ZINC000786139185 1023662588 /nfs/dbraw/zinc/66/25/88/1023662588.db2.gz ZAKLVVHDGNNCDF-UHFFFAOYSA-N -1 3 309.346 3.836 20 30 DHEDHM N#CCc1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000785357458 1024401649 /nfs/dbraw/zinc/40/16/49/1024401649.db2.gz FWUVFUXTGIMSPJ-UHFFFAOYSA-N -1 3 319.719 3.608 20 30 DHEDHM Cc1cccc(C)c1NC(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000005290207 1025028500 /nfs/dbraw/zinc/02/85/00/1025028500.db2.gz ZGTOPJKSOJVPHG-DJKKODMXSA-N -1 3 316.788 3.720 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCN(c2ccccc2F)C1 ZINC000793668264 1025139949 /nfs/dbraw/zinc/13/99/49/1025139949.db2.gz MPACYSUZXITMND-ANKPHQHTSA-N -1 3 318.779 3.883 20 30 DHEDHM C=C[C@@H](CCCC)Oc1cc(O)cc([O-])c1Br ZINC001229096277 1025316354 /nfs/dbraw/zinc/31/63/54/1025316354.db2.gz APWSCBINOUAFHW-JTQLQIEISA-N -1 3 301.180 3.984 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)oc1ccccc12)c1ccncn1 ZINC000354054153 1025336776 /nfs/dbraw/zinc/33/67/76/1025336776.db2.gz RJGPGIFWLQKLEM-OAHLLOKOSA-N -1 3 313.316 3.866 20 30 DHEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Cl)cc1 ZINC001129602845 1025344717 /nfs/dbraw/zinc/34/47/17/1025344717.db2.gz XHWGKWRXPAFVOW-HNNXBMFYSA-N -1 3 319.738 3.923 20 30 DHEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccsc1 ZINC000130163188 1025537729 /nfs/dbraw/zinc/53/77/29/1025537729.db2.gz MEVKJKBHGNOMSA-SNVBAGLBSA-N -1 3 322.748 3.502 20 30 DHEDHM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc2ccccc2[nH]1 ZINC000046439485 1025581862 /nfs/dbraw/zinc/58/18/62/1025581862.db2.gz FSMDUDZUIVIPNW-ZDUSSCGKSA-N -1 3 312.332 3.601 20 30 DHEDHM [O-]c1ccc(Br)cc1C=Nc1ccc2n[nH]cc2c1 ZINC000254450581 1026221245 /nfs/dbraw/zinc/22/12/45/1026221245.db2.gz YBEANOOHIPUWEE-UHFFFAOYSA-N -1 3 316.158 3.782 20 30 aggregator DHEDHM CC(C)(C#N)c1ccccc1COc1ccc2c([O-])coc2c1 ZINC000664136742 1026242816 /nfs/dbraw/zinc/24/28/16/1026242816.db2.gz VHPJTFMXWLMTPI-UHFFFAOYSA-N -1 3 307.349 3.642 20 30 DHEDHM COc1c(O)cccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000810239328 1026725982 /nfs/dbraw/zinc/72/59/82/1026725982.db2.gz ZILKPRMQCDPAKW-ANHFWZFOSA-N -1 3 314.312 3.629 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(F)c1C#N ZINC000811688365 1027062448 /nfs/dbraw/zinc/06/24/48/1027062448.db2.gz OEPQGVIUAMDMGZ-MDXIRLPMSA-N -1 3 311.287 3.925 20 30 DHEDHM C#C[C@@H]([N-]c1nc(C(F)(F)F)ns1)c1ccc(Cl)cc1 ZINC000811863098 1027111438 /nfs/dbraw/zinc/11/14/38/1027111438.db2.gz QBKXVGJACXSDOX-SECBINFHSA-N -1 3 317.723 3.997 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCCC23CCCC3)c1[O-] ZINC000812444623 1027284678 /nfs/dbraw/zinc/28/46/78/1027284678.db2.gz KBVNCQOEQDINRU-VBNMEBLOSA-N -1 3 302.418 3.510 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1C1CC1 ZINC000562594586 1027515703 /nfs/dbraw/zinc/51/57/03/1027515703.db2.gz UGRCLCPAXZSTCM-CQSZACIVSA-N -1 3 312.394 3.828 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])oc1CC ZINC000576405406 1027613141 /nfs/dbraw/zinc/61/31/41/1027613141.db2.gz NHKIKGHWDPYAHE-UHFFFAOYSA-N -1 3 313.397 3.771 20 30 DHEDHM N#Cc1ccc(-c2ccc(OC[C@H]3CCCCO3)cc2)c([O-])c1 ZINC000600775866 1027820292 /nfs/dbraw/zinc/82/02/92/1027820292.db2.gz APWIDXCCLNSVPW-QGZVFWFLSA-N -1 3 309.365 3.879 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(C)C)cc2)n1 ZINC000041520616 1028741679 /nfs/dbraw/zinc/74/16/79/1028741679.db2.gz XBYODOOEUHUSMO-AWEZNQCLSA-N -1 3 300.383 3.729 20 30 DHEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCCCC1 ZINC000411296123 1029089403 /nfs/dbraw/zinc/08/94/03/1029089403.db2.gz VJYQUFJHTDCZOC-UHFFFAOYSA-N -1 3 300.362 3.530 20 30 DHEDHM N#CCCSc1ccccc1[N-]C(=O)c1ccnc(F)c1F ZINC000191374892 1029405043 /nfs/dbraw/zinc/40/50/43/1029405043.db2.gz JRBMYSQBQAVDAG-UHFFFAOYSA-N -1 3 319.336 3.618 20 30 DHEDHM N#Cc1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1F ZINC000557274973 1030076882 /nfs/dbraw/zinc/07/68/82/1030076882.db2.gz RMLVZQSFCCJZTI-UHFFFAOYSA-N -1 3 315.373 3.504 20 30 DHEDHM O=C1c2c(c(F)ccc2F)C/C1=C/c1c(F)ccc([O-])c1F ZINC000794945618 1030436738 /nfs/dbraw/zinc/43/67/38/1030436738.db2.gz IUTZNSADCUMJNU-SREVYHEPSA-N -1 3 308.230 3.771 20 30 DHEDHM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001136838364 1030498654 /nfs/dbraw/zinc/49/86/54/1030498654.db2.gz DAQDGHZNWGQERE-UHFFFAOYSA-N -1 3 323.396 3.955 20 30 DHEDHM CCCCCCCCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298306 1030768845 /nfs/dbraw/zinc/76/88/45/1030768845.db2.gz NQTKWLFXIGXPKC-UHFFFAOYSA-N -1 3 319.449 3.817 20 30 DHEDHM CC[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843853943 1030867731 /nfs/dbraw/zinc/86/77/31/1030867731.db2.gz LQCUXEDAJQGDEQ-QMMMGPOBSA-N -1 3 321.154 3.894 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 ZINC000536689324 1031393178 /nfs/dbraw/zinc/39/31/78/1031393178.db2.gz XUJJOYCAUAMCLE-OAHLLOKOSA-N -1 3 314.772 3.603 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCCCC3)nc1-2 ZINC000845478660 1031611597 /nfs/dbraw/zinc/61/15/97/1031611597.db2.gz ZMNTVHWPHTUPIP-CDNLZTBQSA-N -1 3 322.412 3.969 20 30 DHEDHM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000361527139 1031971882 /nfs/dbraw/zinc/97/18/82/1031971882.db2.gz QRSKWIJNVLLYPG-INIZCTEOSA-N -1 3 317.304 3.633 20 30 DHEDHM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000361527153 1031973391 /nfs/dbraw/zinc/97/33/91/1031973391.db2.gz QRSKWIJNVLLYPG-MRXNPFEDSA-N -1 3 317.304 3.633 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000846545023 1031997793 /nfs/dbraw/zinc/99/77/93/1031997793.db2.gz DJTPIQQIJPZWOU-WDEREUQCSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000846545405 1031998281 /nfs/dbraw/zinc/99/82/81/1031998281.db2.gz NYNAXLHWYLOWJC-SECBINFHSA-N -1 3 310.806 3.505 20 30 DHEDHM COCC[C@@H]1CCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863124919 1034001680 /nfs/dbraw/zinc/00/16/80/1034001680.db2.gz HTKSAPQNCBVCLX-NSHDSACASA-N -1 3 316.430 3.897 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NC[C@@H]1CCCOCC1 ZINC000863125574 1034002961 /nfs/dbraw/zinc/00/29/61/1034002961.db2.gz ZSLHUTNQIKCPAB-LLVKDONJSA-N -1 3 302.403 3.507 20 30 DHEDHM CCC1(CN=Nc2nc3ccccc3[n-]c2=S)CCOCC1 ZINC000863128095 1034003907 /nfs/dbraw/zinc/00/39/07/1034003907.db2.gz FYLLLEGZWXUEST-UHFFFAOYSA-N -1 3 316.430 3.897 20 30 DHEDHM CC(C)(C)OC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174426577 1034374813 /nfs/dbraw/zinc/37/48/13/1034374813.db2.gz VESCJBYCIYPBNW-UHFFFAOYSA-N -1 3 310.353 3.963 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000555064465 1034482816 /nfs/dbraw/zinc/48/28/16/1034482816.db2.gz ZTVJQEZZICDUSD-LBPRGKRZSA-N -1 3 312.394 3.612 20 30 DHEDHM CSC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904180688 1035377690 /nfs/dbraw/zinc/37/76/90/1035377690.db2.gz NLKKULWYVUJWAM-UHFFFAOYSA-N -1 3 306.214 3.607 20 30 DHEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(C(F)(F)F)CCCC1 ZINC000904177735 1035382153 /nfs/dbraw/zinc/38/21/53/1035382153.db2.gz MXQYLKLPXPMQHZ-UHFFFAOYSA-N -1 3 305.271 3.666 20 30 DHEDHM CC(=O)[C@H](C)CCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904189843 1035382990 /nfs/dbraw/zinc/38/29/90/1035382990.db2.gz BSNSHBHBEDCSCU-GFCCVEGCSA-N -1 3 311.809 3.843 20 30 DHEDHM O=C(N([O-])CCCCc1ccccc1)C1(C(F)(F)F)CC1 ZINC000904197172 1035384759 /nfs/dbraw/zinc/38/47/59/1035384759.db2.gz URFNLSVEUVTWCU-UHFFFAOYSA-N -1 3 301.308 3.570 20 30 DHEDHM C=C[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485108263 1035476414 /nfs/dbraw/zinc/47/64/14/1035476414.db2.gz TVOBOLZKDSGDTL-KRWDZBQOSA-N -1 3 310.357 3.759 20 30 DHEDHM N#C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC2CCC1CC2 ZINC000907139434 1036153011 /nfs/dbraw/zinc/15/30/11/1036153011.db2.gz GMQPLTGXTCFODE-CLIRUNRCSA-N -1 3 304.777 3.704 20 30 DHEDHM N#Cc1cc(NC(=O)c2sccc2C(F)(F)F)ccc1[O-] ZINC001195214878 1036182996 /nfs/dbraw/zinc/18/29/96/1036182996.db2.gz FCIQGODJFWMGOE-UHFFFAOYSA-N -1 3 312.272 3.596 20 30 DHEDHM N#Cc1cccnc1C(=O)Nc1cc(C2CCCCC2)ccc1[O-] ZINC001196558299 1036567269 /nfs/dbraw/zinc/56/72/69/1036567269.db2.gz FDOBQIDJOAOEDS-UHFFFAOYSA-N -1 3 321.380 3.959 20 30 DHEDHM CCc1cc(NC(=O)c2ccc([O-])cc2OC)cc(CC)c1C#N ZINC001197172052 1036701704 /nfs/dbraw/zinc/70/17/04/1036701704.db2.gz UAMGZWBVNUYFOY-UHFFFAOYSA-N -1 3 324.380 3.650 20 30 DHEDHM Cc1ccncc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235284 1036782718 /nfs/dbraw/zinc/78/27/18/1036782718.db2.gz IJDDEMPABGKSFJ-UHFFFAOYSA-N -1 3 311.168 3.728 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001184315322 1036795400 /nfs/dbraw/zinc/79/54/00/1036795400.db2.gz XDQKGRBQYMZYBT-ZDUSSCGKSA-N -1 3 315.454 3.789 20 30 DHEDHM COc1c(C)ccc(F)c1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001198268988 1036979281 /nfs/dbraw/zinc/97/92/81/1036979281.db2.gz XMVIAQCLTCSSBU-UHFFFAOYSA-N -1 3 320.270 3.545 20 30 DHEDHM CC(C)Oc1cccc(C(=O)[N-]c2c(C#N)oc3ccccc32)n1 ZINC001199032777 1037183928 /nfs/dbraw/zinc/18/39/28/1037183928.db2.gz JTUJDIAOFIGDIS-UHFFFAOYSA-N -1 3 321.336 3.739 20 30 DHEDHM CC(=NNC(=S)Nc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000915923865 1037608352 /nfs/dbraw/zinc/60/83/52/1037608352.db2.gz RULWGWSLXXARKC-UHFFFAOYSA-N -1 3 319.817 3.756 20 30 DHEDHM COc1ccc(C#N)cc1Nc1c([O-])cccc1Br ZINC001201584378 1037793880 /nfs/dbraw/zinc/79/38/80/1037793880.db2.gz UNHJIBAFXRESLI-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM COc1ccc(C#N)cc1NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188181161 1037837817 /nfs/dbraw/zinc/83/78/17/1037837817.db2.gz ITRBTJDFMXHADY-UHFFFAOYSA-N -1 3 324.380 3.957 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccc(F)cc2F)c1C#N ZINC001202013169 1037964772 /nfs/dbraw/zinc/96/47/72/1037964772.db2.gz NOIBXIAMZIQNRK-UHFFFAOYSA-N -1 3 320.299 3.766 20 30 DHEDHM Cc1ccc(Cl)cc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001188733747 1037973807 /nfs/dbraw/zinc/97/38/07/1037973807.db2.gz DVHLOLQYQFSVGP-UHFFFAOYSA-N -1 3 301.733 3.870 20 30 DHEDHM COc1ccc(C#N)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1 ZINC001189096560 1038074760 /nfs/dbraw/zinc/07/47/60/1038074760.db2.gz OGQJOSUPENRVMI-UHFFFAOYSA-N -1 3 324.380 3.822 20 30 DHEDHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190938142 1038404804 /nfs/dbraw/zinc/40/48/04/1038404804.db2.gz DTBMGXQPVQQTQR-UHFFFAOYSA-N -1 3 322.364 3.648 20 30 DHEDHM N#Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000589515973 1038498066 /nfs/dbraw/zinc/49/80/66/1038498066.db2.gz XHUHLGCQMYBIBJ-UHFFFAOYSA-N -1 3 321.163 3.501 20 30 DHEDHM CC(C)(C)c1ccc(C(=O)N(CC#N)Cc2ccccc2)c([O-])c1 ZINC001192322918 1038629214 /nfs/dbraw/zinc/62/92/14/1038629214.db2.gz SEMTWEYKTXAVPV-UHFFFAOYSA-N -1 3 322.408 3.856 20 30 DHEDHM Cc1cc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)ccc1F ZINC001192346762 1038635141 /nfs/dbraw/zinc/63/51/41/1038635141.db2.gz HXRWUHXMLJUPBJ-UHFFFAOYSA-N -1 3 316.336 3.935 20 30 DHEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cocn3)sc2C1 ZINC000591005196 1038742910 /nfs/dbraw/zinc/74/29/10/1038742910.db2.gz CSWITCGSGOJGNH-SNVBAGLBSA-N -1 3 315.398 3.621 20 30 DHEDHM Cc1cc(C#N)ccc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000591405113 1038868149 /nfs/dbraw/zinc/86/81/49/1038868149.db2.gz OHVMGTLSSGGPGW-UHFFFAOYSA-N -1 3 311.410 3.673 20 30 DHEDHM COc1cc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)ccc1[O-] ZINC000172678286 1039986644 /nfs/dbraw/zinc/98/66/44/1039986644.db2.gz CXKRMIFTUHRNNO-CSKARUKUSA-N -1 3 320.348 3.687 20 30 DHEDHM N#Cc1c([N-]C(=O)c2ccc(C(F)F)o2)sc2c1CCC2 ZINC000602226348 1040917443 /nfs/dbraw/zinc/91/74/43/1040917443.db2.gz FMHWBQGRAJEXIC-UHFFFAOYSA-N -1 3 308.309 3.891 20 30 DHEDHM CCc1ocnc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000271568803 129937133 /nfs/dbraw/zinc/93/71/33/129937133.db2.gz FNCRDOLCPOQGGQ-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM CCc1nc(C)c(C(=O)[N-]c2sc(C)c(CC)c2C#N)o1 ZINC000410430774 332143778 /nfs/dbraw/zinc/14/37/78/332143778.db2.gz FYNFZXIXIJAGJR-UHFFFAOYSA-N -1 3 303.387 3.602 20 30 DHEDHM Cc1sc([N-]C(=O)c2noc3c2CCCCC3)c(C#N)c1C ZINC000408444012 332550757 /nfs/dbraw/zinc/55/07/57/332550757.db2.gz QKTVXISIKJQBKF-UHFFFAOYSA-N -1 3 315.398 3.746 20 30 DHEDHM C=CCN(CC=C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000180301867 333027647 /nfs/dbraw/zinc/02/76/47/333027647.db2.gz ZCXKYQWQGDBEQN-UHFFFAOYSA-N -1 3 323.392 3.785 20 30 DHEDHM C[C@H](CC#N)N(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183047561 333182699 /nfs/dbraw/zinc/18/26/99/333182699.db2.gz WFEAPTGQCCVCTO-OAHLLOKOSA-N -1 3 310.397 3.705 20 30 DHEDHM CC1(C)CCCN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@@H]1C#N ZINC000356401362 333527196 /nfs/dbraw/zinc/52/71/96/333527196.db2.gz WIAYSPVFGIQSPD-CQSZACIVSA-N -1 3 312.335 3.925 20 30 DHEDHM C[C@@H](C#N)CSc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271775803 334026820 /nfs/dbraw/zinc/02/68/20/334026820.db2.gz DYNBIEGFPJKOSG-LBPRGKRZSA-N -1 3 319.430 3.934 20 30 DHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271775803 334026822 /nfs/dbraw/zinc/02/68/22/334026822.db2.gz DYNBIEGFPJKOSG-LBPRGKRZSA-N -1 3 319.430 3.934 20 30 DHEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000285668957 334149133 /nfs/dbraw/zinc/14/91/33/334149133.db2.gz DVAGRWBKKJNXMO-IBGZPJMESA-N -1 3 308.381 3.861 20 30 DHEDHM CCc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1[O-] ZINC000292199498 334185384 /nfs/dbraw/zinc/18/53/84/334185384.db2.gz PFDIIVDSHOVLMZ-KRWDZBQOSA-N -1 3 308.381 3.729 20 30 DHEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000292578972 334189659 /nfs/dbraw/zinc/18/96/59/334189659.db2.gz CGZZXEWXLCEGHW-VIFPVBQESA-N -1 3 315.295 3.676 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c1[O-] ZINC000295263300 334221474 /nfs/dbraw/zinc/22/14/74/334221474.db2.gz NVLVRVHZPPEVPY-INIZCTEOSA-N -1 3 304.777 3.767 20 30 DHEDHM CCCCCCCCCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000298185038 334246984 /nfs/dbraw/zinc/24/69/84/334246984.db2.gz HZLQPAOFXMKRDU-UHFFFAOYSA-N -1 3 321.465 3.598 20 30 DHEDHM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cc([O-])ccc1Cl ZINC000330518866 334786500 /nfs/dbraw/zinc/78/65/00/334786500.db2.gz OVTQAJSDBQZOBR-NHYWBVRUSA-N -1 3 311.809 3.682 20 30 DHEDHM Cc1csc([N-]C(=O)c2ccc(Br)o2)c1C#N ZINC000344905412 335284700 /nfs/dbraw/zinc/28/47/00/335284700.db2.gz XIYWYDJQKPRVEW-UHFFFAOYSA-N -1 3 311.160 3.536 20 30 DHEDHM C=CCCOCCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345151596 335302027 /nfs/dbraw/zinc/30/20/27/335302027.db2.gz DNRVJFYSEVMXRJ-OAHLLOKOSA-N -1 3 317.429 3.995 20 30 DHEDHM C[C@H](C(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000349515600 335678124 /nfs/dbraw/zinc/67/81/24/335678124.db2.gz CPZFVUYLGVADIM-XCBNKYQSSA-N -1 3 324.224 3.585 20 30 DHEDHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329916092 336095034 /nfs/dbraw/zinc/09/50/34/336095034.db2.gz QCBKMYOQDZMKMH-AMIZOPFISA-N -1 3 306.362 3.616 20 30 DHEDHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329982013 336102505 /nfs/dbraw/zinc/10/25/05/336102505.db2.gz OIVPWHZTTZWKLP-ZDUSSCGKSA-N -1 3 302.399 3.867 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)CCc2ccc(C#N)cc2)c1[O-] ZINC000116979535 337845501 /nfs/dbraw/zinc/84/55/01/337845501.db2.gz TYKWQTFJFZGDIO-UHFFFAOYSA-N -1 3 314.772 3.797 20 30 DHEDHM CC(F)(F)CC(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000429080458 338070534 /nfs/dbraw/zinc/07/05/34/338070534.db2.gz QPAOFKAKYJPYSB-JTQLQIEISA-N -1 3 317.204 3.730 20 30 DHEDHM N#Cc1ccc([N-]C(=O)c2cc(-c3ccccn3)no2)c(Cl)c1 ZINC000430364376 338105806 /nfs/dbraw/zinc/10/58/06/338105806.db2.gz BPKXLTDPUDTTSS-UHFFFAOYSA-N -1 3 324.727 3.514 20 30 DHEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000433358967 338193681 /nfs/dbraw/zinc/19/36/81/338193681.db2.gz AQVXIIIOLAXNSO-ZDUSSCGKSA-N -1 3 314.772 3.757 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(C#N)c2)CC)n1 ZINC000435340001 338237471 /nfs/dbraw/zinc/23/74/71/338237471.db2.gz AHKIGMSFOIDXLF-NTEUORMPSA-N -1 3 323.396 3.553 20 30 DHEDHM C=CCOc1ccccc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436556971 338276867 /nfs/dbraw/zinc/27/68/67/338276867.db2.gz UJVKFUOWPHBUBM-UHFFFAOYSA-N -1 3 324.336 3.683 20 30 DHEDHM N#CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC000436573759 338277729 /nfs/dbraw/zinc/27/77/29/338277729.db2.gz DLHDYJGBBTZFEE-UHFFFAOYSA-N -1 3 320.392 3.549 20 30 DHEDHM CCc1ccc(C(=O)N(CCC#N)CC(CC)CC)c([O-])c1 ZINC000436828864 338288937 /nfs/dbraw/zinc/28/89/37/338288937.db2.gz ZUWLAQWSPHZPGS-UHFFFAOYSA-N -1 3 302.418 3.747 20 30 DHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000436832163 338288952 /nfs/dbraw/zinc/28/89/52/338288952.db2.gz ZNWXGECMWUIIHX-UHFFFAOYSA-N -1 3 311.381 3.619 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(C)c1 ZINC000436930576 338294071 /nfs/dbraw/zinc/29/40/71/338294071.db2.gz YFYNDJFPVKHMHH-UHFFFAOYSA-N -1 3 308.381 3.625 20 30 DHEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000440833068 338398435 /nfs/dbraw/zinc/39/84/35/338398435.db2.gz QRHOZAXDHOJWQD-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM COC(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000490655205 339836729 /nfs/dbraw/zinc/83/67/29/339836729.db2.gz KCZZLJAMWHJHKC-UHFFFAOYSA-N -1 3 304.733 3.975 20 30 DHEDHM C=C(C)CON=C([O-])Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497065402 340019513 /nfs/dbraw/zinc/01/95/13/340019513.db2.gz QTRFJCZYJFUNSS-UHFFFAOYSA-N -1 3 321.377 3.663 20 30 DHEDHM C=C(C)CO[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497065402 340019514 /nfs/dbraw/zinc/01/95/14/340019514.db2.gz QTRFJCZYJFUNSS-UHFFFAOYSA-N -1 3 321.377 3.663 20 30 DHEDHM Cc1ccc(F)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1F ZINC000499150578 340031219 /nfs/dbraw/zinc/03/12/19/340031219.db2.gz OHYYUBYZNYHAQA-UHFFFAOYSA-N -1 3 318.348 3.947 20 30 DHEDHM C=CCN(Cc1ccccc1F)Cc1c(F)ccc([O-])c1F ZINC000507732375 340229913 /nfs/dbraw/zinc/22/99/13/340229913.db2.gz LXNQYGGNEZPPQZ-UHFFFAOYSA-N -1 3 307.315 3.998 20 30 DHEDHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000178808629 340452178 /nfs/dbraw/zinc/45/21/78/340452178.db2.gz FSFJAKKZUMZNJK-UHFFFAOYSA-N -1 3 318.373 3.622 20 30 DHEDHM C=C(CC)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000538010776 340807298 /nfs/dbraw/zinc/80/72/98/340807298.db2.gz ULGUQSBOLZCCRQ-UHFFFAOYSA-N -1 3 312.398 3.579 20 30 DHEDHM Cc1ccc(-c2ocnc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000076824220 341214524 /nfs/dbraw/zinc/21/45/24/341214524.db2.gz ITMPKRIHUSIXGU-CQSZACIVSA-N -1 3 303.321 3.535 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)o1 ZINC000081369455 341287580 /nfs/dbraw/zinc/28/75/80/341287580.db2.gz COGIYLZDUGYBGL-JTQLQIEISA-N -1 3 315.398 3.938 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(C(C)C)oc2C)s1 ZINC000288446364 536097776 /nfs/dbraw/zinc/09/77/76/536097776.db2.gz UYXXTAFBQJJUHA-UHFFFAOYSA-N -1 3 303.387 3.854 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000736660764 600421984 /nfs/dbraw/zinc/42/19/84/600421984.db2.gz BKFNWAHAYGTROI-BDJLRTHQSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000736661070 600562585 /nfs/dbraw/zinc/56/25/85/600562585.db2.gz DCKQYUILFMJPPL-BDJLRTHQSA-N -1 3 314.772 3.688 20 30 DHEDHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827124652 601301602 /nfs/dbraw/zinc/30/16/02/601301602.db2.gz RPVDSCJQTLCBPW-SFHVURJKSA-N -1 3 308.381 3.597 20 30 DHEDHM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000825502802 604304615 /nfs/dbraw/zinc/30/46/15/604304615.db2.gz KWDCGWYXRSDWKA-KGLIPLIRSA-N -1 3 323.396 3.738 20 30 DHEDHM C[C@@H](Sc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555011 607011648 /nfs/dbraw/zinc/01/16/48/607011648.db2.gz DTCBAQFQOKLTPY-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Sc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555011 607011650 /nfs/dbraw/zinc/01/16/50/607011650.db2.gz DTCBAQFQOKLTPY-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM CCCCCCCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825271112 607788211 /nfs/dbraw/zinc/78/82/11/607788211.db2.gz GZUUFRZTIDZYLH-UHFFFAOYSA-N -1 3 315.421 3.580 20 30 DHEDHM CCCCCCCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825271112 607788212 /nfs/dbraw/zinc/78/82/12/607788212.db2.gz GZUUFRZTIDZYLH-UHFFFAOYSA-N -1 3 315.421 3.580 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000826281224 607915705 /nfs/dbraw/zinc/91/57/05/607915705.db2.gz JPZKKSCTOQKMMD-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000826281224 607915706 /nfs/dbraw/zinc/91/57/06/607915706.db2.gz JPZKKSCTOQKMMD-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305308 608318775 /nfs/dbraw/zinc/31/87/75/608318775.db2.gz RNLRFBGSFFSHTI-HMHNVIDESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305308 608318777 /nfs/dbraw/zinc/31/87/77/608318777.db2.gz RNLRFBGSFFSHTI-HMHNVIDESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826284607 608876984 /nfs/dbraw/zinc/87/69/84/608876984.db2.gz YYWOKARTPPYQRV-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826284607 608876987 /nfs/dbraw/zinc/87/69/87/608876987.db2.gz YYWOKARTPPYQRV-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826284606 608877426 /nfs/dbraw/zinc/87/74/26/608877426.db2.gz YYWOKARTPPYQRV-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826284606 608877428 /nfs/dbraw/zinc/87/74/28/608877428.db2.gz YYWOKARTPPYQRV-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000826297737 947859520 /nfs/dbraw/zinc/85/95/20/947859520.db2.gz QIDVIHGLYCUELN-VQHVLOKHSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000826297737 947859529 /nfs/dbraw/zinc/85/95/29/947859529.db2.gz QIDVIHGLYCUELN-VQHVLOKHSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000728230666 1013261675 /nfs/dbraw/zinc/26/16/75/1013261675.db2.gz DMYPAHIWNRNTFP-CLFYSBASSA-N -1 3 304.349 3.782 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001573369441 963096840 /nfs/dbraw/zinc/09/68/40/963096840.db2.gz ZQEKJQYJAXJALI-ZHACJKMWSA-N -1 3 311.381 3.608 20 30 DHEDHM Cc1c(C[S@@](C)=O)cccc1N=Cc1cc(Cl)ccc1[O-] ZINC000255063979 1013604665 /nfs/dbraw/zinc/60/46/65/1013604665.db2.gz FLMMEMTWQVGJJG-OAQYLSRUSA-N -1 3 321.829 3.983 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000255110423 1013726403 /nfs/dbraw/zinc/72/64/03/1013726403.db2.gz OFJODXAUECVSJJ-FKPVXGFXSA-N -1 3 311.834 3.519 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1C ZINC000041533376 1015611160 /nfs/dbraw/zinc/61/11/60/1015611160.db2.gz XTDHFRXDAAKZSB-AWEZNQCLSA-N -1 3 321.405 3.947 20 30 DHEDHM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)c1ccccn1 ZINC000121650720 1015795029 /nfs/dbraw/zinc/79/50/29/1015795029.db2.gz QKMHTHNQLPAQJU-CYBMUJFWSA-N -1 3 321.311 3.674 20 30 DHEDHM Cc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362134736 1032245956 /nfs/dbraw/zinc/24/59/56/1032245956.db2.gz CUZHTFDVUUBVHE-ZDUSSCGKSA-N -1 3 304.271 3.899 20 30 DHEDHM C#C[C@H](NC(=O)c1cccc(CC)c1[O-])c1ccc(Cl)cc1 ZINC001625821724 1012878647 /nfs/dbraw/zinc/87/86/47/1012878647.db2.gz SFHVQRWZRPRZLJ-INIZCTEOSA-N -1 3 313.784 3.712 20 30 DHEDHM COc1ccccc1/C=C/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000161669410 1018376066 /nfs/dbraw/zinc/37/60/66/1018376066.db2.gz XHKIBDCLATXTRG-DLYLGUBQSA-N -1 3 310.349 3.862 20 30 DHEDHM Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H]1CCCN=C1[O-] ZINC000329403549 1018660673 /nfs/dbraw/zinc/66/06/73/1018660673.db2.gz ZUKDWGSJSVZRMQ-CYBMUJFWSA-N -1 3 315.398 3.542 20 30 DHEDHM C[C@@H]1Oc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2NC1=O ZINC000255622349 1020037205 /nfs/dbraw/zinc/03/72/05/1020037205.db2.gz FZFBFYJYPUEYJV-VIFPVBQESA-N -1 3 316.744 3.516 20 30 DHEDHM CC(=NNc1cc(C)ncn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766021575 1020463265 /nfs/dbraw/zinc/46/32/65/1020463265.db2.gz VGSFMRYPSNLVIO-UHFFFAOYSA-N -1 3 311.172 3.634 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(F)cc2Cl)c1[O-] ZINC000735978984 1020781366 /nfs/dbraw/zinc/78/13/66/1020781366.db2.gz RTNUTVAXEIHERH-SBZQOHANSA-N -1 3 322.767 3.561 20 30 DHEDHM CCSCc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000741466418 1021009763 /nfs/dbraw/zinc/00/97/63/1021009763.db2.gz QKWPRUXYELGKHG-UHFFFAOYSA-N -1 3 316.426 3.592 20 30 DHEDHM COc1cc(Cl)c(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000175099904 1021017753 /nfs/dbraw/zinc/01/77/53/1021017753.db2.gz KAQNWOQJNFIBNZ-JTQLQIEISA-N -1 3 321.163 3.887 20 30 DHEDHM CS[C@@H]1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000743042418 1021206135 /nfs/dbraw/zinc/20/61/35/1021206135.db2.gz KJXNYPVOVIQHCM-WWISCJFESA-N -1 3 314.248 3.858 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202412725 1021242084 /nfs/dbraw/zinc/24/20/84/1021242084.db2.gz ZHMBLOAJNYHPRD-UHFFFAOYSA-N -1 3 321.258 3.927 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C3CCCCC3)n[n-]2)o1 ZINC000776375394 1021322206 /nfs/dbraw/zinc/32/22/06/1021322206.db2.gz FCEXGWFTUAEPIN-MRXNPFEDSA-N -1 3 313.357 3.607 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C3CCCCC3)[n-]n2)o1 ZINC000776375394 1021322225 /nfs/dbraw/zinc/32/22/25/1021322225.db2.gz FCEXGWFTUAEPIN-MRXNPFEDSA-N -1 3 313.357 3.607 20 30 DHEDHM N#Cc1c([N-]C(=O)c2nccs2)sc2c1CCCCCC2 ZINC000618639351 1021466269 /nfs/dbraw/zinc/46/62/69/1021466269.db2.gz ZHCQJIAFDVISRK-UHFFFAOYSA-N -1 3 317.439 3.988 20 30 DHEDHM CCCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000745465355 1021721004 /nfs/dbraw/zinc/72/10/04/1021721004.db2.gz ILQLAEDJHJEERO-UHFFFAOYSA-N -1 3 301.394 3.556 20 30 DHEDHM CCCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000745465355 1021721014 /nfs/dbraw/zinc/72/10/14/1021721014.db2.gz ILQLAEDJHJEERO-UHFFFAOYSA-N -1 3 301.394 3.556 20 30 DHEDHM CSc1ccc(Cl)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000920756128 1022171571 /nfs/dbraw/zinc/17/15/71/1022171571.db2.gz YFSJCOPIEMYHJR-UHFFFAOYSA-N -1 3 322.817 3.714 20 30 DHEDHM CCc1cnccc1C(=O)/C=C/c1cc(Cl)c([O-])c(OC)c1 ZINC000766771649 1022482985 /nfs/dbraw/zinc/48/29/85/1022482985.db2.gz HIHCFELXZKZIMD-SNAWJCMRSA-N -1 3 317.772 3.908 20 30 DHEDHM C=CCC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000337539740 1033058058 /nfs/dbraw/zinc/05/80/58/1033058058.db2.gz YCPHJEMEHUKGQU-OAHLLOKOSA-N -1 3 324.359 3.534 20 30 DHEDHM CC1(C)CC(=O)C=C(Nc2[n-]c(=O)c(Cl)cc2Cl)C1 ZINC001169950563 1022600663 /nfs/dbraw/zinc/60/06/63/1022600663.db2.gz CEXJGSFWRFBMBX-UHFFFAOYSA-N -1 3 301.173 3.779 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000856030323 1022740075 /nfs/dbraw/zinc/74/00/75/1022740075.db2.gz CROKSMKBNMPOQL-LLVKDONJSA-N -1 3 301.308 3.823 20 30 DHEDHM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1[O-] ZINC000769780732 1023212027 /nfs/dbraw/zinc/21/20/27/1023212027.db2.gz RNQBWTOQEIHFAK-UHFFFAOYSA-N -1 3 311.750 3.851 20 30 DHEDHM COc1ccc2c(c1)[nH]nc2N=Cc1cc(Cl)ccc1[O-] ZINC000772155170 1023524739 /nfs/dbraw/zinc/52/47/39/1023524739.db2.gz NXOYANSNGSTOHY-UHFFFAOYSA-N -1 3 301.733 3.681 20 30 DHEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000367752570 1023833190 /nfs/dbraw/zinc/83/31/90/1023833190.db2.gz XISPPTAGNJOBCN-CYBMUJFWSA-N -1 3 312.417 3.963 20 30 DHEDHM C[C@H](O[N-]C(=O)CCCc1ccccc1)c1ccc(C#N)cc1 ZINC000194629095 1024009146 /nfs/dbraw/zinc/00/91/46/1024009146.db2.gz AQXPDTZQAKXCOV-HNNXBMFYSA-N -1 3 308.381 3.690 20 30 DHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102378 1024625902 /nfs/dbraw/zinc/62/59/02/1024625902.db2.gz IITBZLWBXJVFHN-KEGWNNHHSA-N -1 3 317.323 3.659 20 30 DHEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nc2ccccc2[nH]1 ZINC000134121372 1024982400 /nfs/dbraw/zinc/98/24/00/1024982400.db2.gz HDLWLJWRRHGMPB-BUUCAEBMSA-N -1 3 323.377 3.779 20 30 DHEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nc2ccccc2[nH]1 ZINC000134121166 1024982788 /nfs/dbraw/zinc/98/27/88/1024982788.db2.gz HDLWLJWRRHGMPB-XOVSCCBYSA-N -1 3 323.377 3.779 20 30 DHEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1c([O-])cccc1F ZINC000884424968 1025115596 /nfs/dbraw/zinc/11/55/96/1025115596.db2.gz QPBFJUIWIHZBEQ-UHFFFAOYSA-N -1 3 316.336 3.525 20 30 DHEDHM C=C(Cl)CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134932632 1025145418 /nfs/dbraw/zinc/14/54/18/1025145418.db2.gz HSHTVRXLZTWYOJ-SSDOTTSWSA-N -1 3 308.578 3.697 20 30 DHEDHM N#CCCCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000805192693 1025551991 /nfs/dbraw/zinc/55/19/91/1025551991.db2.gz JLIDCVRWSXQNBM-UHFFFAOYSA-N -1 3 314.307 3.727 20 30 DHEDHM C[C@@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000807897713 1026137264 /nfs/dbraw/zinc/13/72/64/1026137264.db2.gz VIOYLZWSXDGNLV-HZGVNTEJSA-N -1 3 317.204 3.783 20 30 DHEDHM COc1cc(C=NNCCCc2ccccc2)cc(Cl)c1[O-] ZINC000729147861 1026382873 /nfs/dbraw/zinc/38/28/73/1026382873.db2.gz JTRRSTMKVWQFDE-UHFFFAOYSA-N -1 3 318.804 3.611 20 30 DHEDHM CCOCC(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000809144258 1026466981 /nfs/dbraw/zinc/46/69/81/1026466981.db2.gz ITNHQTDPQANKOC-LZYBPNLTSA-N -1 3 314.223 3.636 20 30 DHEDHM Cc1ncc(CO)c(C=Nc2cc(Cl)ccc2Cl)c1[O-] ZINC000747706986 1026990095 /nfs/dbraw/zinc/99/00/95/1026990095.db2.gz BCCMVJBWFYLZAY-UHFFFAOYSA-N -1 3 311.168 3.645 20 30 DHEDHM C=C(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000811527913 1027020967 /nfs/dbraw/zinc/02/09/67/1027020967.db2.gz COGOQYUMHOWTKW-UHFFFAOYSA-N -1 3 303.361 3.989 20 30 DHEDHM C=CCCCCCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000811590181 1027036763 /nfs/dbraw/zinc/03/67/63/1027036763.db2.gz RUOJFLGQMYFVFG-UHFFFAOYSA-N -1 3 312.413 3.785 20 30 DHEDHM Cc1cccc(C(C)C)c1NN=C1c2ccc([O-])cc2NC1=O ZINC000812232082 1027202514 /nfs/dbraw/zinc/20/25/14/1027202514.db2.gz QWKYKPQPZJHTSO-UHFFFAOYSA-N -1 3 309.369 3.592 20 30 DHEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1C(F)(F)F ZINC000812411529 1027271204 /nfs/dbraw/zinc/27/12/04/1027271204.db2.gz JIPPPOFXBXHEEE-UHFFFAOYSA-N -1 3 324.302 3.666 20 30 DHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cc([N+](=O)[O-])ccc1F ZINC000814192113 1027928240 /nfs/dbraw/zinc/92/82/40/1027928240.db2.gz YEGMCSZPCCVPLK-GORDUTHDSA-N -1 3 323.226 3.614 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccccc2-c2ccnn2C)ccc1[O-] ZINC000814188756 1027944314 /nfs/dbraw/zinc/94/43/14/1027944314.db2.gz TZVXZCQRPMXWJK-YFHOEESVSA-N -1 3 318.376 3.997 20 30 DHEDHM N#Cc1cscc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000814604774 1028115272 /nfs/dbraw/zinc/11/52/72/1028115272.db2.gz SLRNTDCXHKRHCE-UHFFFAOYSA-N -1 3 318.427 3.771 20 30 DHEDHM N#CCc1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000048859140 1028274497 /nfs/dbraw/zinc/27/44/97/1028274497.db2.gz MQXVSESKCTXJQB-KRWDZBQOSA-N -1 3 311.344 3.791 20 30 DHEDHM CC(N=Nc1nnc(-c2ccccc2)s1)c1sccc1[O-] ZINC000814947213 1028305442 /nfs/dbraw/zinc/30/54/42/1028305442.db2.gz GVBJCRIOXJRTAF-UHFFFAOYSA-N -1 3 316.411 3.808 20 30 DHEDHM Cc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000371392342 1028700858 /nfs/dbraw/zinc/70/08/58/1028700858.db2.gz NAAXVBNCKJZGAP-UHFFFAOYSA-N -1 3 318.376 3.502 20 30 DHEDHM C#Cc1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000816838458 1029012243 /nfs/dbraw/zinc/01/22/43/1029012243.db2.gz BVPQIEMXTPCPRU-UHFFFAOYSA-N -1 3 305.255 3.645 20 30 DHEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190926352 1029215210 /nfs/dbraw/zinc/21/52/10/1029215210.db2.gz BVDRCJMJDDAQDS-HNNXBMFYSA-N -1 3 301.349 3.737 20 30 DHEDHM CCOc1cc(/C=C/C(=O)c2cncc(F)c2)cc(Cl)c1[O-] ZINC000078023001 1029225707 /nfs/dbraw/zinc/22/57/07/1029225707.db2.gz XMGWIUASFVLBTH-ONEGZZNKSA-N -1 3 321.735 3.875 20 30 DHEDHM CCc1nc([C@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866265021 1030187126 /nfs/dbraw/zinc/18/71/26/1030187126.db2.gz WRZQPEMDZXJDQE-QWRGUYRKSA-N -1 3 301.415 3.695 20 30 DHEDHM CCc1cccc(F)c1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000794934528 1030388137 /nfs/dbraw/zinc/38/81/37/1030388137.db2.gz SZTAQUCUXKGXML-CSKARUKUSA-N -1 3 300.329 3.998 20 30 DHEDHM CC[C@H](NCc1ncc(Cl)s1)c1cccc(C#N)c1[O-] ZINC000926828198 1030945711 /nfs/dbraw/zinc/94/57/11/1030945711.db2.gz CUEBVQZVFNTLJZ-NSHDSACASA-N -1 3 307.806 3.615 20 30 DHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCCC(F)(F)F ZINC000845841004 1031740976 /nfs/dbraw/zinc/74/09/76/1031740976.db2.gz IQZAWEGZPUZKOS-CYBMUJFWSA-N -1 3 323.314 3.729 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000846545016 1031997945 /nfs/dbraw/zinc/99/79/45/1031997945.db2.gz DJTPIQQIJPZWOU-MNOVXSKESA-N -1 3 301.308 3.821 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000846545407 1031998124 /nfs/dbraw/zinc/99/81/24/1031998124.db2.gz NYNAXLHWYLOWJC-VIFPVBQESA-N -1 3 310.806 3.505 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000846551152 1031998645 /nfs/dbraw/zinc/99/86/45/1031998645.db2.gz RHWGYKVRTMQACV-CQSZACIVSA-N -1 3 303.402 3.563 20 30 DHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2[nH]ccc2s1 ZINC000361657324 1032041650 /nfs/dbraw/zinc/04/16/50/1032041650.db2.gz VMTWJKFIIPDGMA-SNVBAGLBSA-N -1 3 320.377 3.606 20 30 DHEDHM C[C@H](CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853960 1033513167 /nfs/dbraw/zinc/51/31/67/1033513167.db2.gz PQZIDPHBDAKWHD-DGCLKSJQSA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@H](CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853960 1033513176 /nfs/dbraw/zinc/51/31/76/1033513176.db2.gz PQZIDPHBDAKWHD-DGCLKSJQSA-N -1 3 323.314 3.585 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000127689561 1033994798 /nfs/dbraw/zinc/99/47/98/1033994798.db2.gz OFJODXAUECVSJJ-NXLQUEFTSA-N -1 3 311.834 3.519 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NCCCC1CCOCC1 ZINC000863128683 1034004493 /nfs/dbraw/zinc/00/44/93/1034004493.db2.gz OXJZHEWNWCFRAJ-UHFFFAOYSA-N -1 3 316.430 3.897 20 30 DHEDHM CC(C)[C@@H](Cc1ccccc1)NN=Cc1c(F)ccc([O-])c1F ZINC000794534712 1034125585 /nfs/dbraw/zinc/12/55/85/1034125585.db2.gz ATPOUZXBAGRJKS-MRXNPFEDSA-N -1 3 318.367 3.861 20 30 DHEDHM COc1cc(NN=Cc2c(F)ccc([O-])c2F)ccc1Cl ZINC000794538277 1034128602 /nfs/dbraw/zinc/12/86/02/1034128602.db2.gz PPKSFCUBXDCINI-UHFFFAOYSA-N -1 3 312.703 3.778 20 30 DHEDHM Cc1ncc(CO)c(C=Nc2cccc3c2OC(C)(C)C=C3)c1[O-] ZINC000864346689 1034322992 /nfs/dbraw/zinc/32/29/92/1034322992.db2.gz CODBICGOTHMSAY-UHFFFAOYSA-N -1 3 324.380 3.523 20 30 DHEDHM CCc1noc([C@@H]2CC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2)n1 ZINC000899227230 1034515946 /nfs/dbraw/zinc/51/59/46/1034515946.db2.gz HPBSCIWPFFYGEK-ZJVHLGGDSA-N -1 3 319.792 3.746 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCOC12CCCC2 ZINC000899231515 1034523021 /nfs/dbraw/zinc/52/30/21/1034523021.db2.gz FPAXVIQDQWJBNK-XGHPXPSOSA-N -1 3 324.218 3.675 20 30 DHEDHM CCSCc1cc(C(=O)[N-]c2sc(CC)cc2C#N)no1 ZINC000185350256 1034542361 /nfs/dbraw/zinc/54/23/61/1034542361.db2.gz VVEYWGAHEKRVEJ-UHFFFAOYSA-N -1 3 321.427 3.676 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cccc(O[C@H]3CCCCO3)c2)c1 ZINC001175188775 1034864882 /nfs/dbraw/zinc/86/48/82/1034864882.db2.gz ZYDYZXJZIFFEKQ-SFHVURJKSA-N -1 3 310.353 3.913 20 30 DHEDHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000600634070 1035018051 /nfs/dbraw/zinc/01/80/51/1035018051.db2.gz XEESFGCJQGDPPT-UHFFFAOYSA-N -1 3 311.410 3.673 20 30 DHEDHM Cc1ncsc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096454 1035036069 /nfs/dbraw/zinc/03/60/69/1035036069.db2.gz FAPXLUYSTXEQSM-UHFFFAOYSA-N -1 3 317.197 3.790 20 30 DHEDHM N#Cc1cc(Nc2c([O-])cccc2Br)ccc1F ZINC001176617737 1035302320 /nfs/dbraw/zinc/30/23/20/1035302320.db2.gz MTNXRGCBYNRCQS-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM C[C@]1(CC(=O)N([O-])Cc2ccc(F)cc2)CC1(Cl)Cl ZINC000904177578 1035381873 /nfs/dbraw/zinc/38/18/73/1035381873.db2.gz IAKRCRLSGJPJHZ-LBPRGKRZSA-N -1 3 306.164 3.518 20 30 DHEDHM CCCCN([O-])C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000904208017 1035382869 /nfs/dbraw/zinc/38/28/69/1035382869.db2.gz MERQBKSEZYJDCH-UHFFFAOYSA-N -1 3 302.374 3.601 20 30 DHEDHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904190818 1035383460 /nfs/dbraw/zinc/38/34/60/1035383460.db2.gz QWGMIWOABCJSIV-SNVBAGLBSA-N -1 3 321.808 3.592 20 30 DHEDHM O=C([C@@H]1CCOC2(CCCC2)C1)N([O-])Cc1ccccc1Cl ZINC000904192148 1035383914 /nfs/dbraw/zinc/38/39/14/1035383914.db2.gz BUZMJIZPHGETKI-CYBMUJFWSA-N -1 3 323.820 3.797 20 30 DHEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)C2=CCCCC2)c1[O-] ZINC000773905842 1035863627 /nfs/dbraw/zinc/86/36/27/1035863627.db2.gz JZMRRYLPAINZEL-VXLYETTFSA-N -1 3 302.418 3.533 20 30 DHEDHM Cc1ncc(CO)c(/C=N\C2CCC(c3ccccc3)CC2)c1[O-] ZINC000914702167 1036253649 /nfs/dbraw/zinc/25/36/49/1036253649.db2.gz XWPROPYOEUGBAT-UUYOSTAYSA-N -1 3 324.424 3.733 20 30 DHEDHM COc1cc(C=NNc2ccc(F)cc2OC)cc(Cl)c1[O-] ZINC000761894275 1036388087 /nfs/dbraw/zinc/38/80/87/1036388087.db2.gz BXHGTIQGQSEVQI-UHFFFAOYSA-N -1 3 324.739 3.648 20 30 DHEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000908663613 1036464632 /nfs/dbraw/zinc/46/46/32/1036464632.db2.gz XVJCHTXZDJOZBW-QGZVFWFLSA-N -1 3 323.392 3.685 20 30 DHEDHM CCCCN([O-])C(=O)c1cnc(Cc2ccccc2F)s1 ZINC001184314857 1036797565 /nfs/dbraw/zinc/79/75/65/1036797565.db2.gz NLZBEENMLPOYMD-UHFFFAOYSA-N -1 3 308.378 3.505 20 30 DHEDHM CO[C@@H]1CCC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001184340909 1036816064 /nfs/dbraw/zinc/81/60/64/1036816064.db2.gz SXBCGVRNEYGTJL-DOTOQJQBSA-N -1 3 313.397 3.763 20 30 DHEDHM Cc1ccc(F)c(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)c1 ZINC001185228596 1037071607 /nfs/dbraw/zinc/07/16/07/1037071607.db2.gz GPCBWNTZNZDACZ-UHFFFAOYSA-N -1 3 316.336 3.935 20 30 DHEDHM N#CCCN(CCC#N)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000915794442 1037180127 /nfs/dbraw/zinc/18/01/27/1037180127.db2.gz JSCPJXLXSIWFGP-UHFFFAOYSA-N -1 3 319.364 3.921 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(C)c(F)c2)c(OC)cc1[O-] ZINC000763105680 1037260118 /nfs/dbraw/zinc/26/01/18/1037260118.db2.gz NGNWNNFRGRDHBT-VOTSOKGWSA-N -1 3 316.328 3.753 20 30 DHEDHM Cc1coc([N-]C(=O)c2cc(-c3ccccc3)cnc2F)c1C#N ZINC001199727207 1037318994 /nfs/dbraw/zinc/31/89/94/1037318994.db2.gz CAGTWRVDGLFOEQ-UHFFFAOYSA-N -1 3 321.311 3.913 20 30 DHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc(C)c1C ZINC001201319730 1037605330 /nfs/dbraw/zinc/60/53/30/1037605330.db2.gz HLUXZIBQBWJTTL-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1cnn2C ZINC001188012972 1037784808 /nfs/dbraw/zinc/78/48/08/1037784808.db2.gz MBEHQOFBAHWFTB-UHFFFAOYSA-N -1 3 323.462 3.676 20 30 DHEDHM N#Cc1ccc(Nc2ccc([O-])c(Br)c2)c(F)c1 ZINC001201569573 1037785234 /nfs/dbraw/zinc/78/52/34/1037785234.db2.gz KQBHLISPFKEYSE-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2Cl)nc(C)n1 ZINC000916879672 1038019983 /nfs/dbraw/zinc/01/99/83/1038019983.db2.gz FQEOFLLLXBWILD-DANTVBBOSA-N -1 3 311.772 3.637 20 30 DHEDHM CC(C)(C)c1ccc(C(=O)N[C@H](C#N)c2ccccc2)c([O-])c1 ZINC001192314430 1038626685 /nfs/dbraw/zinc/62/66/85/1038626685.db2.gz PJVLJUHAOYBHAX-MRXNPFEDSA-N -1 3 308.381 3.684 20 30 DHEDHM N#CCc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000590416952 1038638426 /nfs/dbraw/zinc/63/84/26/1038638426.db2.gz UAFSZXDSTDFVDP-UHFFFAOYSA-N -1 3 320.270 3.729 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc3c(c2)CCCC3)c1[O-] ZINC000761015558 1039474117 /nfs/dbraw/zinc/47/41/17/1039474117.db2.gz NJZVRVOUOTXQIZ-MYSNOUKZSA-N -1 3 324.424 3.647 20 30 DHEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(SC)ccc1[O-] ZINC000597159419 1040671191 /nfs/dbraw/zinc/67/11/91/1040671191.db2.gz KPQRCUXJRUOCRZ-UHFFFAOYSA-N -1 3 320.458 3.906 20 30 DHEDHM C=CCOc1cccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618974 335013047 /nfs/dbraw/zinc/01/30/47/335013047.db2.gz KEBZPGRAYQVLQF-MOPGFXCFSA-N -1 3 323.392 3.654 20 30 DHEDHM C=CCOc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417629336 335018410 /nfs/dbraw/zinc/01/84/10/335018410.db2.gz WZJJAKMCJCKJST-MOPGFXCFSA-N -1 3 323.392 3.654 20 30 DHEDHM Cc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555403 183202200 /nfs/dbraw/zinc/20/22/00/183202200.db2.gz NEEMZMVGWIEXOO-CYBMUJFWSA-N -1 3 304.271 3.899 20 30 DHEDHM Cc1oc(C(C)C)nc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000288228450 131317100 /nfs/dbraw/zinc/31/71/00/131317100.db2.gz WBEUTWFUOFVXMP-UHFFFAOYSA-N -1 3 315.398 3.781 20 30 DHEDHM N#Cc1c([N-]C(=O)c2csc(Cl)n2)sc2c1CCCC2 ZINC000297695483 132029669 /nfs/dbraw/zinc/02/96/69/132029669.db2.gz BNDFIXSJEKVQRD-UHFFFAOYSA-N -1 3 323.830 3.861 20 30 DHEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3cocn3)sc2CC[C@@H]1C ZINC000297807658 132034453 /nfs/dbraw/zinc/03/44/53/132034453.db2.gz LJXUYWDZYGIMPG-DTWKUNHWSA-N -1 3 301.371 3.546 20 30 DHEDHM C=CCCO[C@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291393423 335081985 /nfs/dbraw/zinc/08/19/85/335081985.db2.gz CVKWMCWHEJJBKV-CYBMUJFWSA-N -1 3 306.406 3.950 20 30 DHEDHM CCCc1nc(C)c(C(=O)[N-]c2sc(C)c(CC)c2C#N)o1 ZINC000410432354 332143729 /nfs/dbraw/zinc/14/37/29/332143729.db2.gz JKMUGIIZKALNLP-UHFFFAOYSA-N -1 3 317.414 3.992 20 30 DHEDHM CCOc1ccc(N(CCC#N)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000094106111 332147452 /nfs/dbraw/zinc/14/74/52/332147452.db2.gz IVMJDSUSILYDJY-UHFFFAOYSA-N -1 3 324.380 3.660 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2nc(C3CC3)oc2C)c1C#N ZINC000582055084 333190740 /nfs/dbraw/zinc/19/07/40/333190740.db2.gz PIZOLVOQNWLOCV-UHFFFAOYSA-N -1 3 315.398 3.917 20 30 DHEDHM Cc1cc(Br)cc(CN2CCC(C)(C#N)CC2)c1[O-] ZINC000272517694 334036550 /nfs/dbraw/zinc/03/65/50/334036550.db2.gz KPYOJAPKPNVOCS-UHFFFAOYSA-N -1 3 323.234 3.589 20 30 DHEDHM Cc1c(C(=O)/C=C/c2c(F)ccc([O-])c2F)cnn1C(C)(C)C ZINC000280136758 334114445 /nfs/dbraw/zinc/11/44/45/334114445.db2.gz YOZIGYZSJWHRGD-FNORWQNLSA-N -1 3 320.339 3.826 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)c2cn(C(C)(C)C)nn2)c([O-])c1 ZINC000330411809 334779729 /nfs/dbraw/zinc/77/97/29/334779729.db2.gz SDPPXDOBFAWGBC-UHFFFAOYSA-N -1 3 316.405 3.673 20 30 DHEDHM Cc1nc(C)c(CCC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(=O)[n-]1 ZINC000329688809 336045201 /nfs/dbraw/zinc/04/52/01/336045201.db2.gz ZBFKBMRFBIBPPO-SOUVJXGZSA-N -1 3 317.433 3.657 20 30 DHEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000329967680 336101133 /nfs/dbraw/zinc/10/11/33/336101133.db2.gz WIWCNBKXEJOJHE-UHFFFAOYSA-N -1 3 307.419 3.652 20 30 DHEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000330022919 336106764 /nfs/dbraw/zinc/10/67/64/336106764.db2.gz HVNIGDNYIWSJTO-UHFFFAOYSA-N -1 3 320.418 3.721 20 30 DHEDHM CCOc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190920118 337291486 /nfs/dbraw/zinc/29/14/86/337291486.db2.gz DRXYTCYTTGBNRO-HNNXBMFYSA-N -1 3 317.348 3.519 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1C ZINC000430596211 338109559 /nfs/dbraw/zinc/10/95/59/338109559.db2.gz JBAUODLQSJOUGM-LLVKDONJSA-N -1 3 301.415 3.578 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)c(C#N)c2)CC)n1 ZINC000435338933 338237426 /nfs/dbraw/zinc/23/74/26/338237426.db2.gz LSTIWGYOEMHIFW-MDWZMJQESA-N -1 3 311.360 3.684 20 30 DHEDHM N#Cc1csc(C(=O)[N-]c2csnc2-c2ccccc2)c1 ZINC000436726009 338284338 /nfs/dbraw/zinc/28/43/38/338284338.db2.gz UKPWULSUEIFHHK-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM C=CCOc1ccc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1 ZINC000436784544 338287362 /nfs/dbraw/zinc/28/73/62/338287362.db2.gz LNCDFEIJGBXSPG-UHFFFAOYSA-N -1 3 324.336 3.683 20 30 DHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436825112 338288804 /nfs/dbraw/zinc/28/88/04/338288804.db2.gz FKHVHTYVJJNPQR-UHFFFAOYSA-N -1 3 311.381 3.619 20 30 DHEDHM N#CC[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436871054 338290721 /nfs/dbraw/zinc/29/07/21/338290721.db2.gz PACDWKIPGXGNPF-HNNXBMFYSA-N -1 3 305.337 3.682 20 30 DHEDHM Cc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000436940225 338294738 /nfs/dbraw/zinc/29/47/38/338294738.db2.gz VEDBWCGZOKKJTG-KRWDZBQOSA-N -1 3 308.381 3.866 20 30 DHEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475821374 339462383 /nfs/dbraw/zinc/46/23/83/339462383.db2.gz MOTUSKNXFYJRIW-UHFFFAOYSA-N -1 3 320.801 3.515 20 30 DHEDHM Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1[O-] ZINC000500159415 340051658 /nfs/dbraw/zinc/05/16/58/340051658.db2.gz UOFOLXLSGIGAGA-QZTJIDSGSA-N -1 3 320.392 3.613 20 30 DHEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000540483124 340933023 /nfs/dbraw/zinc/93/30/23/340933023.db2.gz IRWGNPFQIFEQED-LLVKDONJSA-N -1 3 321.364 3.729 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)c(C)o1 ZINC000564300336 341154916 /nfs/dbraw/zinc/15/49/16/341154916.db2.gz CPAUEBWEDRMENO-MRVPVSSYSA-N -1 3 315.398 3.602 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1Br ZINC000080255825 341271595 /nfs/dbraw/zinc/27/15/95/341271595.db2.gz HYQSOOSHSYYNJS-GFCCVEGCSA-N -1 3 315.170 3.643 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(C(C)=O)cs2)s1 ZINC000106629302 523746775 /nfs/dbraw/zinc/74/67/75/523746775.db2.gz RXJAZEIYRFADNA-UHFFFAOYSA-N -1 3 304.396 3.699 20 30 DHEDHM CCCCCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736448486 599310989 /nfs/dbraw/zinc/31/09/89/599310989.db2.gz YMSGYZSIRDLXSU-UHFFFAOYSA-N -1 3 315.421 3.580 20 30 DHEDHM CCCCCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736448486 599310992 /nfs/dbraw/zinc/31/09/92/599310992.db2.gz YMSGYZSIRDLXSU-UHFFFAOYSA-N -1 3 315.421 3.580 20 30 DHEDHM CC(=NNc1c(C)cc(C)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000819772719 599339284 /nfs/dbraw/zinc/33/92/84/599339284.db2.gz JYNZZRBDBDQUNT-UHFFFAOYSA-N -1 3 320.400 3.628 20 30 DHEDHM CC(=NNc1c(C)cc(C)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000819772719 599339286 /nfs/dbraw/zinc/33/92/86/599339286.db2.gz JYNZZRBDBDQUNT-UHFFFAOYSA-N -1 3 320.400 3.628 20 30 DHEDHM C[C@@H](Nc1c(Cl)cccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820450888 599470954 /nfs/dbraw/zinc/47/09/54/599470954.db2.gz QEMATOXRHACUFX-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1c(Cl)cccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820450888 599470955 /nfs/dbraw/zinc/47/09/55/599470955.db2.gz QEMATOXRHACUFX-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000736661072 600562561 /nfs/dbraw/zinc/56/25/61/600562561.db2.gz DCKQYUILFMJPPL-MEDUHNTESA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000736663380 600590296 /nfs/dbraw/zinc/59/02/96/600590296.db2.gz YJPOZWCCWABRMV-BZNIZROVSA-N -1 3 314.772 3.688 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(C)s1 ZINC000822162248 606389054 /nfs/dbraw/zinc/38/90/54/606389054.db2.gz ZMFAQXPLWWTNBB-HWKANZROSA-N -1 3 316.411 3.503 20 30 DHEDHM CCC(CC)CN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000339980401 1013188323 /nfs/dbraw/zinc/18/83/23/1013188323.db2.gz OJRFZZZWIPAKHS-UHFFFAOYSA-N -1 3 308.809 3.838 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000255050131 1013255235 /nfs/dbraw/zinc/25/52/35/1013255235.db2.gz YIVDHOIYZPDEQT-CRAXFROJSA-N -1 3 305.805 3.812 20 30 DHEDHM Cc1nc(CC(C)C)sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000330843177 1013845331 /nfs/dbraw/zinc/84/53/31/1013845331.db2.gz UCRMVVKBGMYQJO-UHFFFAOYSA-N -1 3 305.403 3.695 20 30 DHEDHM CCc1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)no1 ZINC000891146228 1013959056 /nfs/dbraw/zinc/95/90/56/1013959056.db2.gz UGXNGJJMSLUCCJ-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(C(=O)[O-])cc1Cl ZINC000659802168 975892082 /nfs/dbraw/zinc/89/20/82/975892082.db2.gz QWHPUEDMJKHJPX-OKILXGFUSA-N -1 3 321.804 3.600 20 30 DHEDHM C#C[C@@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC001588377186 983356067 /nfs/dbraw/zinc/35/60/67/983356067.db2.gz JOQBBDWLAGPBEH-CYBMUJFWSA-N -1 3 313.319 3.541 20 30 DHEDHM C=CCN(CCc1ccco1)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001588829169 984311729 /nfs/dbraw/zinc/31/17/29/984311729.db2.gz GQHLZNAROGRWRH-ZDUSSCGKSA-N -1 3 303.358 3.671 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC001599841039 988829984 /nfs/dbraw/zinc/82/99/84/988829984.db2.gz HLFRRPWNPACACA-OTYXRUKQSA-N -1 3 320.801 3.750 20 30 DHEDHM CC(C)C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001591207528 992041992 /nfs/dbraw/zinc/04/19/92/992041992.db2.gz PJSGLIKPXDJVGE-AWEZNQCLSA-N -1 3 300.402 3.515 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC001593194572 994137721 /nfs/dbraw/zinc/13/77/21/994137721.db2.gz JLDRADRNALWYGA-YJYMSZOUSA-N -1 3 320.392 3.912 20 30 DHEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C(C)(C)C ZINC000846907828 1032143740 /nfs/dbraw/zinc/14/37/40/1032143740.db2.gz KHMKGCLRACICST-CQSZACIVSA-N -1 3 324.371 3.620 20 30 DHEDHM C[C@](O)(CC/N=C\c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000588523246 1016813752 /nfs/dbraw/zinc/81/37/52/1016813752.db2.gz XPAQQZZDJCJQEC-LSPINASFSA-N -1 3 303.789 3.762 20 30 DHEDHM O=C1CCCN1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255509477 1016906165 /nfs/dbraw/zinc/90/61/65/1016906165.db2.gz CQIFDMXVUGYNMC-UHFFFAOYSA-N -1 3 314.772 3.923 20 30 DHEDHM C=C1CCC(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000897032025 1016997370 /nfs/dbraw/zinc/99/73/70/1016997370.db2.gz OPDQVEOKTIIPET-UHFFFAOYSA-N -1 3 324.218 3.517 20 30 DHEDHM CCn1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2ccccc21 ZINC000049405382 1011893198 /nfs/dbraw/zinc/89/31/98/1011893198.db2.gz QTFZMXJINCCJJU-OAHLLOKOSA-N -1 3 318.380 3.558 20 30 DHEDHM CCOc1cc(C=NNCc2ccccc2)cc(Cl)c1[O-] ZINC000714451080 1032596772 /nfs/dbraw/zinc/59/67/72/1032596772.db2.gz VWIBJSFHDHVKAB-UHFFFAOYSA-N -1 3 304.777 3.568 20 30 DHEDHM CCc1ccsc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363107 1012199227 /nfs/dbraw/zinc/19/92/27/1012199227.db2.gz JILYZOXSLDZBOU-GFCCVEGCSA-N -1 3 309.394 3.985 20 30 DHEDHM Cc1ccc(-c2ccncc2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000254994589 1012682701 /nfs/dbraw/zinc/68/27/01/1012682701.db2.gz BTIAOEWAXITWGW-UHFFFAOYSA-N -1 3 320.348 3.924 20 30 DHEDHM C[S@](=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255013932 1012887279 /nfs/dbraw/zinc/88/72/79/1012887279.db2.gz BEWGQKOGHWFMSS-FQEVSTJZSA-N -1 3 307.802 3.675 20 30 DHEDHM N#CC(=C([O-])C=C1CCC1)c1nc2ccccc2n1C(F)F ZINC000176726389 1017147684 /nfs/dbraw/zinc/14/76/84/1017147684.db2.gz DDRVKLBNSBXVCB-NSHDSACASA-N -1 3 301.296 3.718 20 30 DHEDHM C=CCCCS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000427792159 1018636621 /nfs/dbraw/zinc/63/66/21/1018636621.db2.gz ZPWDBXOXNXZWDH-UHFFFAOYSA-N -1 3 318.398 3.582 20 30 DHEDHM CC[C@H](CC#N)NCc1cc(Cl)cc(Br)c1[O-] ZINC000708188849 1018838011 /nfs/dbraw/zinc/83/80/11/1018838011.db2.gz AZTJWTUAYNCHBF-SNVBAGLBSA-N -1 3 317.614 3.590 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nc(-c2cccs2)no1 ZINC000255582277 1018886475 /nfs/dbraw/zinc/88/64/75/1018886475.db2.gz ASXPQYZZOIDQDW-APSNUPSMSA-N -1 3 319.773 3.776 20 30 DHEDHM N#C[C@@H]1CC[C@H](Sc2nnc([N-]c3ccccc3F)s2)C1 ZINC000450632255 1018941539 /nfs/dbraw/zinc/94/15/39/1018941539.db2.gz MSAHWJDCGXMHPX-ZJUUUORDSA-N -1 3 320.418 4.205 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cc(F)c(OC(F)F)c(F)c2)c1 ZINC001212452190 1019204638 /nfs/dbraw/zinc/20/46/38/1019204638.db2.gz QCZDRRXCDMVBBM-UHFFFAOYSA-N -1 3 312.222 3.887 20 30 DHEDHM Cc1c(C[S@](C)=O)cccc1N=Cc1cc(Cl)ccc1[O-] ZINC000255063977 1019266308 /nfs/dbraw/zinc/26/63/08/1019266308.db2.gz FLMMEMTWQVGJJG-NRFANRHFSA-N -1 3 321.829 3.983 20 30 DHEDHM Cn1cccc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000078735551 1019582041 /nfs/dbraw/zinc/58/20/41/1019582041.db2.gz SHKIMGOITAXTQV-CYBMUJFWSA-N -1 3 307.378 3.639 20 30 DHEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])c(OC)c1OC ZINC000255678028 1020271031 /nfs/dbraw/zinc/27/10/31/1020271031.db2.gz CUFCSTSSMWCYLY-UHFFFAOYSA-N -1 3 321.760 3.822 20 30 DHEDHM O=C1c2cccc([O-])c2C/C1=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739423733 1020908320 /nfs/dbraw/zinc/90/83/20/1020908320.db2.gz CFYNIDNYJQFXHV-POHAHGRESA-N -1 3 315.712 3.776 20 30 DHEDHM COc1ccc2c(c1)OCC[C@@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000741758279 1021045776 /nfs/dbraw/zinc/04/57/76/1021045776.db2.gz SJXLHPZTBFMYRS-HNIBHBHRSA-N -1 3 317.772 3.997 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC001202292107 1021204162 /nfs/dbraw/zinc/20/41/62/1021204162.db2.gz YBPCBELNQYRFPQ-UHFFFAOYSA-N -1 3 310.235 3.518 20 30 DHEDHM C=CCC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC000619110238 1021633628 /nfs/dbraw/zinc/63/36/28/1021633628.db2.gz BRSHFRGKXXKCJW-UHFFFAOYSA-N -1 3 305.393 3.859 20 30 DHEDHM CC(=CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccco1 ZINC000851108422 1021739277 /nfs/dbraw/zinc/73/92/77/1021739277.db2.gz CSCSJPBDHMZXHG-HECSCLNYSA-N -1 3 319.360 3.693 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC(C)(C)c3ccccc32)c1[O-] ZINC000745626273 1021748970 /nfs/dbraw/zinc/74/89/70/1021748970.db2.gz LSCFDRSCNDBKCK-NMONLQQWSA-N -1 3 324.424 3.820 20 30 DHEDHM CC[C@H](C)Oc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000920177185 1022077647 /nfs/dbraw/zinc/07/76/47/1022077647.db2.gz DDDVLVMFKHMPPN-LBPRGKRZSA-N -1 3 314.385 3.516 20 30 DHEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)[C@H](C)O1 ZINC000901379257 1022118920 /nfs/dbraw/zinc/11/89/20/1022118920.db2.gz SZIYLLUHSSNMFZ-ZDMBXUJBSA-N -1 3 318.200 3.525 20 30 DHEDHM Cc1cc(CNc2cccc(/C=N/[O-])c2)ncc1Br ZINC001169199481 1022294582 /nfs/dbraw/zinc/29/45/82/1022294582.db2.gz GMMLYTNMXQOGBZ-CNHKJKLMSA-N -1 3 320.190 3.573 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cccc3cnccc23)ccc1[O-] ZINC000180927456 1022890183 /nfs/dbraw/zinc/89/01/83/1022890183.db2.gz XLCHYWSZSKVJLQ-FNORWQNLSA-N -1 3 305.333 3.845 20 30 DHEDHM CC(C)(C#N)CCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000768552046 1022988996 /nfs/dbraw/zinc/98/89/96/1022988996.db2.gz BZPSCUJGMMZQBF-UHFFFAOYSA-N -1 3 301.346 3.547 20 30 DHEDHM CC(C)(C#N)CCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000768552046 1022989010 /nfs/dbraw/zinc/98/90/10/1022989010.db2.gz BZPSCUJGMMZQBF-UHFFFAOYSA-N -1 3 301.346 3.547 20 30 DHEDHM C=CC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000617779647 1023060447 /nfs/dbraw/zinc/06/04/47/1023060447.db2.gz FYMHGGIMGIJPPJ-HNNXBMFYSA-N -1 3 305.393 3.669 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccn(C2CCCC2)n1 ZINC000769773733 1023204511 /nfs/dbraw/zinc/20/45/11/1023204511.db2.gz JOGYVKKECYHMEJ-VCHYOVAHSA-N -1 3 303.793 3.976 20 30 DHEDHM CCn1nc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c2ccccc21 ZINC000769742868 1023207437 /nfs/dbraw/zinc/20/74/37/1023207437.db2.gz PNFLFNWYHWKDID-LUAWRHEFSA-N -1 3 322.364 3.667 20 30 DHEDHM CC1(C)C[C@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000124147861 1023306445 /nfs/dbraw/zinc/30/64/45/1023306445.db2.gz LVJCVHBJVVQEFR-GFQQVXNGSA-N -1 3 312.207 3.531 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCN(c2nccs2)CC1 ZINC000798343891 1023387207 /nfs/dbraw/zinc/38/72/07/1023387207.db2.gz TYCIWFCNNUIIJI-ZDLGFXPLSA-N -1 3 321.833 3.590 20 30 DHEDHM CCCCCCC[C@H](CC)n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001172346231 1033128151 /nfs/dbraw/zinc/12/81/51/1033128151.db2.gz HHHVJLZYNRRROI-JTQLQIEISA-N -1 3 324.450 3.695 20 30 DHEDHM N#Cc1c(Cl)nsc1[N-]c1ccn(-c2ccccc2)n1 ZINC000771203284 1023404753 /nfs/dbraw/zinc/40/47/53/1023404753.db2.gz RHHPTNKLNHOZRW-UHFFFAOYSA-N -1 3 301.762 3.597 20 30 DHEDHM COc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1C#N ZINC000746513973 1023471192 /nfs/dbraw/zinc/47/11/92/1023471192.db2.gz PRCJCBWJWBNTMX-VXLYETTFSA-N -1 3 300.745 3.545 20 30 DHEDHM C=CCCc1ccccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000337687030 1033135993 /nfs/dbraw/zinc/13/59/93/1033135993.db2.gz LHIDZUOLZWCEEM-UHFFFAOYSA-N -1 3 318.376 3.899 20 30 DHEDHM COCC[C@H](Cc1ccco1)/N=C/c1cc(Cl)ccc1[O-] ZINC000783681354 1023979798 /nfs/dbraw/zinc/97/97/98/1023979798.db2.gz CTRDJHVDFUJSDM-XWAFYUISSA-N -1 3 307.777 3.705 20 30 DHEDHM C[C@H](N[C@H]1c2ccccc2CC[C@@H]1F)c1cccc(C#N)c1[O-] ZINC000883377579 1024411825 /nfs/dbraw/zinc/41/18/25/1024411825.db2.gz LHRMBBRTRKTUCS-IGNZVWTISA-N -1 3 310.372 3.940 20 30 DHEDHM CCc1ccc([C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000068110784 1024556589 /nfs/dbraw/zinc/55/65/89/1024556589.db2.gz DXASTAAHOZEZNI-MRVPVSSYSA-N -1 3 312.295 3.778 20 30 DHEDHM CCc1ccc([C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000068110784 1024556596 /nfs/dbraw/zinc/55/65/96/1024556596.db2.gz DXASTAAHOZEZNI-MRVPVSSYSA-N -1 3 312.295 3.778 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccc(Cl)cn1 ZINC000760211032 1024732707 /nfs/dbraw/zinc/73/27/07/1024732707.db2.gz JBUBJPKRCPIOBT-CAOOACKPSA-N -1 3 311.168 3.592 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2cc(F)ccc2F)c1C#N ZINC001202646080 1024763079 /nfs/dbraw/zinc/76/30/79/1024763079.db2.gz VMWHNYBIWMELMU-UHFFFAOYSA-N -1 3 320.299 3.766 20 30 DHEDHM N#Cc1cc(NC(=O)CCCCC(=O)c2ccccc2)ccc1[O-] ZINC001143530267 1024838904 /nfs/dbraw/zinc/83/89/04/1024838904.db2.gz ZPRIBYKXJVHDFH-UHFFFAOYSA-N -1 3 322.364 3.646 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cnc(Cl)c(C)c2)ccc1[O-] ZINC000760263316 1025385977 /nfs/dbraw/zinc/38/59/77/1025385977.db2.gz NUGGXUSMEHABKY-HWKANZROSA-N -1 3 303.745 3.654 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)cc2)n1 ZINC000041518915 1025407371 /nfs/dbraw/zinc/40/73/71/1025407371.db2.gz HXVSZOAHTMEFSJ-OAHLLOKOSA-N -1 3 307.378 3.732 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000069973640 1025684923 /nfs/dbraw/zinc/68/49/23/1025684923.db2.gz YYXBZNNFXFOYGQ-UHFFFAOYSA-N -1 3 324.424 3.737 20 30 DHEDHM COc1ccc2c(c1F)C/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000809156233 1026470147 /nfs/dbraw/zinc/47/01/47/1026470147.db2.gz JYMRGAAYPBQPLV-BQYQJAHWSA-N -1 3 320.266 3.641 20 30 DHEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(Cl)c1[O-] ZINC000809701728 1026598011 /nfs/dbraw/zinc/59/80/11/1026598011.db2.gz JJHJQKAKTXZIBO-UHFFFAOYSA-N -1 3 321.804 3.709 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1C ZINC000420277872 1026797512 /nfs/dbraw/zinc/79/75/12/1026797512.db2.gz UVKDOIPIOKXOSW-GFCCVEGCSA-N -1 3 319.286 3.602 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](CC(C)C)c2ccccc2)c1[O-] ZINC000747712784 1026996914 /nfs/dbraw/zinc/99/69/14/1026996914.db2.gz FVABJMZKNPZPTA-DUQUIBLKSA-N -1 3 312.413 3.794 20 30 DHEDHM C#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000812353291 1027251943 /nfs/dbraw/zinc/25/19/43/1027251943.db2.gz LDUQXMOXGOPDDB-HNNXBMFYSA-N -1 3 320.175 3.803 20 30 DHEDHM CC(C)(CCC#N)CNC(=O)c1cc2sccc2c([O-])c1 ZINC000813706846 1027695566 /nfs/dbraw/zinc/69/55/66/1027695566.db2.gz XIKWTZWZZSMFGI-UHFFFAOYSA-N -1 3 302.399 3.667 20 30 DHEDHM N#CCCC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000563538446 1028103449 /nfs/dbraw/zinc/10/34/49/1028103449.db2.gz UPEWMYBEPIGIJM-UHFFFAOYSA-N -1 3 308.381 3.701 20 30 DHEDHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(C#N)cc1 ZINC000563572241 1028110945 /nfs/dbraw/zinc/11/09/45/1028110945.db2.gz JESHHVZTWVJPAK-CYBMUJFWSA-N -1 3 316.360 3.908 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000815410005 1028494050 /nfs/dbraw/zinc/49/40/50/1028494050.db2.gz MYPMDIDYYKLZKM-LBPRGKRZSA-N -1 3 308.353 3.560 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000815888582 1028649539 /nfs/dbraw/zinc/64/95/39/1028649539.db2.gz RTMUSQMPLYJIFN-UHFFFAOYSA-N -1 3 301.283 3.672 20 30 DHEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000816016322 1028696726 /nfs/dbraw/zinc/69/67/26/1028696726.db2.gz NEELXEMNWLWVLF-SNVBAGLBSA-N -1 3 316.744 3.589 20 30 DHEDHM N#CC(=C([O-])c1cc[nH]c1C1CCC1)c1cnc2ccccc2n1 ZINC000566327008 1028703473 /nfs/dbraw/zinc/70/34/73/1028703473.db2.gz MUTPSHBVMMUNPQ-CQSZACIVSA-N -1 3 316.364 3.715 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000410978382 1028992961 /nfs/dbraw/zinc/99/29/61/1028992961.db2.gz LEJGUZGYJMEPDK-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1c(Cl)c(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1C ZINC000817344162 1029134772 /nfs/dbraw/zinc/13/47/72/1029134772.db2.gz WDDVJSOHDXJBGW-AXDULGOBSA-N -1 3 320.751 3.610 20 30 DHEDHM Cc1ccc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190941865 1029218491 /nfs/dbraw/zinc/21/84/91/1029218491.db2.gz BQLCWJJBCWNIMQ-OAHLLOKOSA-N -1 3 301.349 3.737 20 30 DHEDHM N#Cc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000357412121 1030044314 /nfs/dbraw/zinc/04/43/14/1030044314.db2.gz PMCAWTOVJWCEKS-AQTBWJFISA-N -1 3 313.360 3.837 20 30 DHEDHM Cc1csc(C2(N[C@H](C)c3cccc(C#N)c3[O-])CCC2)n1 ZINC000866320898 1030227955 /nfs/dbraw/zinc/22/79/55/1030227955.db2.gz PJDHAAFNUIIQRC-GFCCVEGCSA-N -1 3 313.426 3.759 20 30 DHEDHM Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000794932537 1030378981 /nfs/dbraw/zinc/37/89/81/1030378981.db2.gz XAIILGISXASYNK-GQCTYLIASA-N -1 3 319.263 3.783 20 30 DHEDHM CC(C)n1nccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000794939986 1030416049 /nfs/dbraw/zinc/41/60/49/1030416049.db2.gz VGSLWDOMZTZNAK-UVIKPUKZSA-N -1 3 300.333 3.692 20 30 DHEDHM CC(=O)Nc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794945813 1030433661 /nfs/dbraw/zinc/43/36/61/1030433661.db2.gz PJXCKJZBPTZDOB-VURMDHGXSA-N -1 3 317.291 3.525 20 30 DHEDHM CCc1cc(=O)[n-]c(CSCc2ccc(Cl)cc2C#N)n1 ZINC000358653103 1030572817 /nfs/dbraw/zinc/57/28/17/1030572817.db2.gz GFQJSZGCHDKAAZ-UHFFFAOYSA-N -1 3 319.817 3.703 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(F)cc2C)c(OC)cc1[O-] ZINC000122515923 1030738490 /nfs/dbraw/zinc/73/84/90/1030738490.db2.gz OCFKUGCVSVHZDQ-FNORWQNLSA-N -1 3 316.328 3.753 20 30 DHEDHM COc1cc(C(=O)/C=C/c2sccc2C)c(OC)cc1[O-] ZINC000122529899 1030747922 /nfs/dbraw/zinc/74/79/22/1030747922.db2.gz UNIAFTYGLXCKRU-SNAWJCMRSA-N -1 3 304.367 3.675 20 30 DHEDHM CC(C)(C)c1cc(C([O-])=C(C#N)c2ccccn2)cc(Cl)n1 ZINC000870136532 1030929474 /nfs/dbraw/zinc/92/94/74/1030929474.db2.gz OUIYSIKAXAPVKC-GFCCVEGCSA-N -1 3 313.788 3.918 20 30 DHEDHM O=C(/C=C/c1ccc([O-])cc1F)c1cnn(C2CCCC2)c1 ZINC000844552610 1031211161 /nfs/dbraw/zinc/21/11/61/1031211161.db2.gz MNMZMCMIDUCEJA-SOFGYWHQSA-N -1 3 300.333 3.739 20 30 DHEDHM N#CC(C(=O)C1=CCCC1)=C([O-])c1sccc1Br ZINC000845845769 1031727984 /nfs/dbraw/zinc/72/79/84/1031727984.db2.gz RPTGLJUBENLIQL-SECBINFHSA-N -1 3 324.199 3.512 20 30 DHEDHM CC(C)n1nccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361523761 1031970413 /nfs/dbraw/zinc/97/04/13/1031970413.db2.gz GHMDQMNKOQHASZ-OAHLLOKOSA-N -1 3 304.353 3.502 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1C(C)C ZINC000361530852 1031973699 /nfs/dbraw/zinc/97/36/99/1031973699.db2.gz MEXWALSJLVZUBS-MRXNPFEDSA-N -1 3 318.380 3.811 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000846549259 1031998188 /nfs/dbraw/zinc/99/81/88/1031998188.db2.gz IVOXOZJFNFKKEE-MNOVXSKESA-N -1 3 301.308 3.821 20 30 DHEDHM N#Cc1ccc(C2(C(=O)Nc3cccc([O-])c3F)CCCC2)cc1 ZINC000860474533 1033390783 /nfs/dbraw/zinc/39/07/83/1033390783.db2.gz KJDLTCMTEALICW-UHFFFAOYSA-N -1 3 324.355 3.853 20 30 DHEDHM CCCCCCCCCSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000863362516 1034075647 /nfs/dbraw/zinc/07/56/47/1034075647.db2.gz HZYLOBROXMNQBF-UHFFFAOYSA-N -1 3 308.451 3.912 20 30 DHEDHM CCCCNC(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174191815 1034211133 /nfs/dbraw/zinc/21/11/33/1034211133.db2.gz JAKVFURAOIFWNB-UHFFFAOYSA-N -1 3 309.369 3.537 20 30 DHEDHM COC(=O)Nc1cccc(CN=Cc2cc(Cl)ccc2[O-])c1 ZINC000794677639 1034337412 /nfs/dbraw/zinc/33/74/12/1034337412.db2.gz WWYDVHVJHCLTLX-ZDLGFXPLSA-N -1 3 318.760 3.843 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCc3ccc(C(C)C)cc32)c1[O-] ZINC000777402548 1034446717 /nfs/dbraw/zinc/44/67/17/1034446717.db2.gz KPXMWQDEBLPMAI-IBUCALKDSA-N -1 3 324.424 3.818 20 30 DHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cnn(CC2CCC2)c1 ZINC000899425118 1034659862 /nfs/dbraw/zinc/65/98/62/1034659862.db2.gz FISHOHLXJBCTOX-GQCTYLIASA-N -1 3 318.323 3.563 20 30 DHEDHM N#Cc1c(F)c(F)cc(Nc2c(F)ccc([O-])c2F)c1F ZINC001175270826 1034915783 /nfs/dbraw/zinc/91/57/83/1034915783.db2.gz KJTYIJNPRIYYNJ-UHFFFAOYSA-N -1 3 300.186 3.703 20 30 DHEDHM CC(C)(C)OC(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001175544804 1035010366 /nfs/dbraw/zinc/01/03/66/1035010366.db2.gz OKLIHIHNYHADOC-UHFFFAOYSA-N -1 3 310.353 3.963 20 30 DHEDHM O=C(N([O-])Cc1ccccc1Cl)C12CC(C(F)(F)F)(C1)C2 ZINC000904190863 1035383884 /nfs/dbraw/zinc/38/38/84/1035383884.db2.gz RYPUGPZSJJVCCB-UHFFFAOYSA-N -1 3 319.710 3.790 20 30 DHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(/C=C/c2ccccc2)cc1 ZINC001193146332 1035577144 /nfs/dbraw/zinc/57/71/44/1035577144.db2.gz LDSCEUNIAFZLJG-NPQIQWPPSA-N -1 3 312.394 3.511 20 30 DHEDHM CC[C@](C)(C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000539842083 1035894652 /nfs/dbraw/zinc/89/46/52/1035894652.db2.gz ZJYDGSJASPUSLB-HXUWFJFHSA-N -1 3 322.408 3.599 20 30 DHEDHM Cc1cc(Cl)c(C(=O)[N-]c2c(C#N)oc3ccccc32)cn1 ZINC001194888234 1036082022 /nfs/dbraw/zinc/08/20/22/1036082022.db2.gz HKNRGKMXYVBTHC-UHFFFAOYSA-N -1 3 311.728 3.914 20 30 DHEDHM Cc1cc(C#N)cc(C(=O)Nc2cc3ccccc3cc2[O-])c1 ZINC001195419586 1036253212 /nfs/dbraw/zinc/25/32/12/1036253212.db2.gz MDOBKSOIKIPPNQ-UHFFFAOYSA-N -1 3 302.333 3.978 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3ccco3)cc2F)c1O ZINC000775742699 1036617653 /nfs/dbraw/zinc/61/76/53/1036617653.db2.gz YGUIGPMEECPNKV-UHFFFAOYSA-N -1 3 313.284 3.953 20 30 DHEDHM CSC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC001184236226 1036783779 /nfs/dbraw/zinc/78/37/79/1036783779.db2.gz VLMLAIWNYCSREO-UHFFFAOYSA-N -1 3 320.241 3.997 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC001184306015 1036794681 /nfs/dbraw/zinc/79/46/81/1036794681.db2.gz ZZVQERFZKFYVIA-ZDUSSCGKSA-N -1 3 311.447 3.974 20 30 DHEDHM CCCCN([O-])C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001184314778 1036796582 /nfs/dbraw/zinc/79/65/82/1036796582.db2.gz JXONODNPJHGAJD-UHFFFAOYSA-N -1 3 312.341 3.720 20 30 DHEDHM O=C(CC1(O)CCCCC1)N([O-])Cc1cccc2ccccc21 ZINC001184339528 1036817584 /nfs/dbraw/zinc/81/75/84/1036817584.db2.gz GVSSEVPJIJYFEM-UHFFFAOYSA-N -1 3 313.397 3.643 20 30 DHEDHM C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1Cl ZINC001184476936 1036855136 /nfs/dbraw/zinc/85/51/36/1036855136.db2.gz LSPASDOWMIZPDH-JTQLQIEISA-N -1 3 300.745 3.659 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cccc(Cl)c2)c(OC)cc1[O-] ZINC000763103468 1037254638 /nfs/dbraw/zinc/25/46/38/1037254638.db2.gz CQCVVTUVDDLLEC-SREVYHEPSA-N -1 3 318.756 3.959 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cccc(Cl)c2)c(OC)cc1[O-] ZINC000763103471 1037254830 /nfs/dbraw/zinc/25/48/30/1037254830.db2.gz CQCVVTUVDDLLEC-VOTSOKGWSA-N -1 3 318.756 3.959 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC001187125982 1037580138 /nfs/dbraw/zinc/58/01/38/1037580138.db2.gz SBMIUDLNBQUFPF-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM CCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201287425 1037586661 /nfs/dbraw/zinc/58/66/61/1037586661.db2.gz JVYBTMJIXTWPJZ-UHFFFAOYSA-N -1 3 314.410 3.620 20 30 DHEDHM CC(=NNC(=S)Nc1ccccc1C)c1cc(F)ccc1[O-] ZINC000915920996 1037604652 /nfs/dbraw/zinc/60/46/52/1037604652.db2.gz JYUIWQGECDSNKB-UHFFFAOYSA-N -1 3 317.389 3.550 20 30 DHEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000915982960 1037631783 /nfs/dbraw/zinc/63/17/83/1037631783.db2.gz KHFWMOIGOZRSQN-DWOMLUCJSA-N -1 3 314.772 3.720 20 30 DHEDHM COc1cc(C=NNc2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000916250944 1037725448 /nfs/dbraw/zinc/72/54/48/1037725448.db2.gz SFCFDHSHZFHQPB-UHFFFAOYSA-N -1 3 312.703 3.778 20 30 DHEDHM N#Cc1cc(NC(=O)c2cccnc2-c2ccccc2)ccc1[O-] ZINC001187822889 1037731292 /nfs/dbraw/zinc/73/12/92/1037731292.db2.gz RPQGWYPCRVUHCJ-UHFFFAOYSA-N -1 3 315.332 3.578 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2ncn(C)c21 ZINC001188017684 1037785709 /nfs/dbraw/zinc/78/57/09/1037785709.db2.gz BCBJNUPPFIDATG-UHFFFAOYSA-N -1 3 323.462 3.676 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1c(F)cccc1OC ZINC001188012982 1037785879 /nfs/dbraw/zinc/78/58/79/1037785879.db2.gz MIOHQWOTNFICCP-UHFFFAOYSA-N -1 3 317.426 3.937 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccccc2Cl)nc(C)n1 ZINC000916879673 1038017715 /nfs/dbraw/zinc/01/77/15/1038017715.db2.gz FQEOFLLLXBWILD-WBTMPAOCSA-N -1 3 311.772 3.637 20 30 DHEDHM N#Cc1cccc(C(=O)Nc2cc3ccccc3cc2[O-])c1F ZINC001190545314 1038340662 /nfs/dbraw/zinc/34/06/62/1038340662.db2.gz MKIFYPNZSMTREL-UHFFFAOYSA-N -1 3 306.296 3.808 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2cc(C)ccc2C(F)(F)F)CC1 ZINC001190813948 1038397964 /nfs/dbraw/zinc/39/79/64/1038397964.db2.gz UWPHOEUGBRSEEB-UHFFFAOYSA-N -1 3 319.348 3.864 20 30 DHEDHM N#Cc1ccc(CNCc2cccc([O-])c2Cl)cc1Cl ZINC000590190483 1038604629 /nfs/dbraw/zinc/60/46/29/1038604629.db2.gz ILHHXKOYRDCOAE-UHFFFAOYSA-N -1 3 307.180 3.860 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)co1 ZINC000590999644 1038741206 /nfs/dbraw/zinc/74/12/06/1038741206.db2.gz PXGQIQHBHWAOQQ-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@H]3C)co1 ZINC000590999645 1038741933 /nfs/dbraw/zinc/74/19/33/1038741933.db2.gz PXGQIQHBHWAOQQ-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000602344041 1040989665 /nfs/dbraw/zinc/98/96/65/1040989665.db2.gz SSDUUVVLZDWFTE-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM N#Cc1ccc(CNCCC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000417647656 335029973 /nfs/dbraw/zinc/02/99/73/335029973.db2.gz HTMXZIVDIQVNNU-UHFFFAOYSA-N -1 3 318.392 3.602 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)n(C(C)C)c2C)n1 ZINC000041520762 183196501 /nfs/dbraw/zinc/19/65/01/183196501.db2.gz OFRLVOYHAQEFFT-AWEZNQCLSA-N -1 3 301.415 3.941 20 30 DHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cnc(Cl)cn2)s1 ZINC000297845610 132036807 /nfs/dbraw/zinc/03/68/07/132036807.db2.gz RSEAEPPYWNLNTM-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)no1 ZINC000297903842 132039715 /nfs/dbraw/zinc/03/97/15/132039715.db2.gz REQBHYOVQLGYKC-WCBMZHEXSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)ccc1Br ZINC000135503614 332621610 /nfs/dbraw/zinc/62/16/10/332621610.db2.gz BUVIHAKWHNKHBP-LBPRGKRZSA-N -1 3 315.170 3.643 20 30 DHEDHM N#Cc1cccc(NCc2cc([O-])ccc2Br)c1 ZINC000179550290 333025594 /nfs/dbraw/zinc/02/55/94/333025594.db2.gz FKYCYKABPINFCC-UHFFFAOYSA-N -1 3 303.159 3.638 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccccc1OC(F)F ZINC000294224053 335119284 /nfs/dbraw/zinc/11/92/84/335119284.db2.gz VIPOCOKHDRWOTO-SECBINFHSA-N -1 3 305.271 3.677 20 30 DHEDHM Cc1cc(C)c(N2CC[C@H](/N=C/c3ccccc3[O-])C2=O)c(C)c1 ZINC000189649733 333260630 /nfs/dbraw/zinc/26/06/30/333260630.db2.gz WGSYUBPWNQGZCV-RHLNUJDMSA-N -1 3 322.408 3.542 20 30 DHEDHM C=CC[C@@H]1N(C(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1(C)C ZINC000412299135 333745313 /nfs/dbraw/zinc/74/53/13/333745313.db2.gz ZPKNAJLMRXMUGX-KRWDZBQOSA-N -1 3 315.413 3.802 20 30 DHEDHM C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186266487 335157100 /nfs/dbraw/zinc/15/71/00/335157100.db2.gz AGDBONXEVDPLFE-AWEZNQCLSA-N -1 3 320.392 3.737 20 30 DHEDHM CC(C)c1ccc(C(=O)N(CCC#N)Cc2ccco2)c([O-])c1 ZINC000271293853 334020968 /nfs/dbraw/zinc/02/09/68/334020968.db2.gz PUONQFPDAVIPNQ-UHFFFAOYSA-N -1 3 312.369 3.665 20 30 DHEDHM CC(C)(C)[C@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295096314 334218428 /nfs/dbraw/zinc/21/84/28/334218428.db2.gz JVATUHAKNFPAON-INIZCTEOSA-N -1 3 310.397 3.532 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)[C@]2(C#N)CC23CCCC3)c1[O-] ZINC000295263303 334221489 /nfs/dbraw/zinc/22/14/89/334221489.db2.gz NVLVRVHZPPEVPY-MRXNPFEDSA-N -1 3 304.777 3.767 20 30 DHEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc1[O-] ZINC000331362079 334858272 /nfs/dbraw/zinc/85/82/72/334858272.db2.gz ZVINRKUUWKPTHD-LLVKDONJSA-N -1 3 311.328 3.725 20 30 DHEDHM Cc1csc([N-]C(=O)c2coc(-c3ccccc3)n2)c1C#N ZINC000344916276 335288559 /nfs/dbraw/zinc/28/85/59/335288559.db2.gz CLZBQIHCQASDBU-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM Cc1csc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N ZINC000344917768 335288798 /nfs/dbraw/zinc/28/87/98/335288798.db2.gz DIMVKPAFHJWRDG-UHFFFAOYSA-N -1 3 321.745 3.742 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(F)c(C#N)c2)c1[O-] ZINC000354520123 336473539 /nfs/dbraw/zinc/47/35/39/336473539.db2.gz GWCMKRHVOFGRSF-UHFFFAOYSA-N -1 3 304.708 3.617 20 30 DHEDHM Cc1onc(-c2ccccc2C)c1C([O-])=C(C#N)c1ccccn1 ZINC000361660211 336767477 /nfs/dbraw/zinc/76/74/77/336767477.db2.gz ALFBOJFMJVWIGN-OAHLLOKOSA-N -1 3 317.348 3.844 20 30 DHEDHM Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1[O-] ZINC000369823477 336872555 /nfs/dbraw/zinc/87/25/55/336872555.db2.gz AXMJEZFLTIHYHW-ZWKOTPCHSA-N -1 3 320.392 3.613 20 30 DHEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc(C)cs2)cc1C ZINC000180731343 337177532 /nfs/dbraw/zinc/17/75/32/337177532.db2.gz TYFODAVGFKSCAC-CYBMUJFWSA-N -1 3 300.383 3.567 20 30 DHEDHM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000073970288 337551179 /nfs/dbraw/zinc/55/11/79/337551179.db2.gz VGVZIBFQRJOWIZ-NSHDSACASA-N -1 3 309.350 3.597 20 30 DHEDHM N#CCCC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263417541 337628370 /nfs/dbraw/zinc/62/83/70/337628370.db2.gz NTZSXBYPYILPDD-SFHVURJKSA-N -1 3 308.381 3.910 20 30 DHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433826433 338202820 /nfs/dbraw/zinc/20/28/20/338202820.db2.gz OOAFJZHHWDDNLN-VIFPVBQESA-N -1 3 315.847 3.798 20 30 DHEDHM CC(C)(C)c1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000153116806 338216621 /nfs/dbraw/zinc/21/66/21/338216621.db2.gz MQROKYVQKINLPW-UHFFFAOYSA-N -1 3 321.352 3.843 20 30 DHEDHM Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c([O-])c1C ZINC000436533193 338275628 /nfs/dbraw/zinc/27/56/28/338275628.db2.gz MJVQTWUEZCGGBB-UHFFFAOYSA-N -1 3 322.408 3.932 20 30 DHEDHM C=CCCC1(c2nc(-c3ccc([O-])c(OCC)c3)no2)CC1 ZINC000436878265 338291331 /nfs/dbraw/zinc/29/13/31/338291331.db2.gz JHWMZVKTLAUFMM-UHFFFAOYSA-N -1 3 300.358 3.839 20 30 DHEDHM N#CCCC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459482689 339031783 /nfs/dbraw/zinc/03/17/83/339031783.db2.gz DCFCNOJUFBVYFQ-QGZVFWFLSA-N -1 3 322.412 3.584 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000462118227 339072392 /nfs/dbraw/zinc/07/23/92/339072392.db2.gz CRYRZDIBSDZBMZ-NSHDSACASA-N -1 3 314.772 3.968 20 30 DHEDHM N#CCn1c(/C=C\c2c(F)ccc([O-])c2F)nc2ccccc21 ZINC000485974457 339717481 /nfs/dbraw/zinc/71/74/81/339717481.db2.gz HRBFFRLCOAYKAY-YVMONPNESA-N -1 3 311.291 3.714 20 30 DHEDHM Cc1cccc(-c2cncc(C([O-])=C(C#N)c3ccccn3)c2)c1 ZINC000131972305 341114381 /nfs/dbraw/zinc/11/43/81/341114381.db2.gz ZPSSHBXRIZSRNH-GOSISDBHSA-N -1 3 313.360 3.942 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)[N-]c3ccccc3C#N)on2)cc1 ZINC000102831417 525728697 /nfs/dbraw/zinc/72/86/97/525728697.db2.gz SPRFYFHFEMPTFR-UHFFFAOYSA-N -1 3 303.321 3.774 20 30 DHEDHM N#Cc1ccc([C@@H](N[C@@H]2CCSc3ccccc32)C(=O)[O-])cc1 ZINC000739106423 600591569 /nfs/dbraw/zinc/59/15/69/600591569.db2.gz MDWMYIYRPKIGPG-NVXWUHKLSA-N -1 3 324.405 3.511 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000827718737 600761964 /nfs/dbraw/zinc/76/19/64/600761964.db2.gz XDHTVAAGEGAHCH-BZNIZROVSA-N -1 3 314.772 3.688 20 30 DHEDHM CCN(Cc1ccsc1C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000829734918 601807560 /nfs/dbraw/zinc/80/75/60/601807560.db2.gz UOTNLNBDKSQDJN-LBPRGKRZSA-N -1 3 314.410 3.901 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000826399882 607646999 /nfs/dbraw/zinc/64/69/99/607646999.db2.gz IYPFQMDCRYFBHC-YFHOEESVSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000826399882 607647000 /nfs/dbraw/zinc/64/70/00/607647000.db2.gz IYPFQMDCRYFBHC-YFHOEESVSA-N -1 3 316.320 3.509 20 30 DHEDHM C[C@H](SCCCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549514 606986971 /nfs/dbraw/zinc/98/69/71/606986971.db2.gz ODMZDTMXNPTNQH-LBPRGKRZSA-N -1 3 315.446 3.991 20 30 DHEDHM C[C@H](SCCCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549514 606986973 /nfs/dbraw/zinc/98/69/73/606986973.db2.gz ODMZDTMXNPTNQH-LBPRGKRZSA-N -1 3 315.446 3.991 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305311 608318975 /nfs/dbraw/zinc/31/89/75/608318975.db2.gz RNLRFBGSFFSHTI-YUSFRKCESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305311 608318977 /nfs/dbraw/zinc/31/89/77/608318977.db2.gz RNLRFBGSFFSHTI-YUSFRKCESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826285991 609270045 /nfs/dbraw/zinc/27/00/45/609270045.db2.gz POOXAAZKRVPGNF-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826285991 609270046 /nfs/dbraw/zinc/27/00/46/609270046.db2.gz POOXAAZKRVPGNF-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM C#CCN(Cc1cccc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001588432186 958275786 /nfs/dbraw/zinc/27/57/86/958275786.db2.gz CLDRBPTUUHPPML-LJQANCHMSA-N -1 3 305.377 3.508 20 30 DHEDHM COc1ccc(CC/N=C/c2cc(Cl)ccc2[O-])cc1F ZINC000728226397 1013198001 /nfs/dbraw/zinc/19/80/01/1013198001.db2.gz OFTYBHXDXAPOMG-VXLYETTFSA-N -1 3 307.752 3.855 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000155082936 1013198136 /nfs/dbraw/zinc/19/81/36/1013198136.db2.gz FYXMIXMPLYOBNX-HWTYCEDESA-N -1 3 324.218 3.531 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000155082635 1013199156 /nfs/dbraw/zinc/19/91/56/1013199156.db2.gz FYXMIXMPLYOBNX-XFTUUPOZSA-N -1 3 324.218 3.531 20 30 DHEDHM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(C)c1)O[C@@H](C)C2 ZINC000728230707 1013254163 /nfs/dbraw/zinc/25/41/63/1013254163.db2.gz FUVLKKCJQJVQHX-VGVVRCBHSA-N -1 3 324.376 3.929 20 30 DHEDHM COc1cc2c(cc1/C=C/C(=O)c1ccc([O-])c(C)c1)O[C@H](C)C2 ZINC000728230708 1013254475 /nfs/dbraw/zinc/25/44/75/1013254475.db2.gz FUVLKKCJQJVQHX-VUDGCMKMSA-N -1 3 324.376 3.929 20 30 DHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc([O-])c(F)c1 ZINC000894417572 1013351113 /nfs/dbraw/zinc/35/11/13/1013351113.db2.gz QHSJTDJHITYTCD-UHFFFAOYSA-N -1 3 317.408 3.887 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2ncc(C#N)cc2Cl)c1[O-] ZINC000340324572 1013495181 /nfs/dbraw/zinc/49/51/81/1013495181.db2.gz AYHXCFYGWWLDNJ-UHFFFAOYSA-N -1 3 322.151 3.526 20 30 DHEDHM CCc1ccc(C(=O)NC(C)(C)c2c(C)noc2C)c([O-])c1 ZINC000331238946 1013869193 /nfs/dbraw/zinc/86/91/93/1013869193.db2.gz NXCIGLFWUQPJRF-UHFFFAOYSA-N -1 3 302.374 3.799 20 30 DHEDHM C=CCCCS(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000427758044 1014526319 /nfs/dbraw/zinc/52/63/19/1014526319.db2.gz LWSUBYJXKJHJKS-UHFFFAOYSA-N -1 3 320.389 3.596 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c(Cl)c2)ccc1[O-] ZINC000255270226 1014579293 /nfs/dbraw/zinc/57/92/93/1014579293.db2.gz RZFXGTWWNROSNS-UTCJRWHESA-N -1 3 318.756 3.959 20 30 DHEDHM N#CC(=C([O-])c1nccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000113650913 1014880184 /nfs/dbraw/zinc/88/01/84/1014880184.db2.gz REBXSJIRPOLTKB-CQSZACIVSA-N -1 3 312.332 3.601 20 30 DHEDHM C=CCCC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001588798259 984234271 /nfs/dbraw/zinc/23/42/71/984234271.db2.gz YVEPCSQCMRRNBW-SFHVURJKSA-N -1 3 310.397 3.967 20 30 DHEDHM CC(C)(C(=O)[O-])[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC001589601365 987426700 /nfs/dbraw/zinc/42/67/00/987426700.db2.gz KVKHAYHSWARDOR-OAHLLOKOSA-N -1 3 314.410 3.561 20 30 DHEDHM CC(C)(C)[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001589732039 987953910 /nfs/dbraw/zinc/95/39/10/987953910.db2.gz FLPITHANGCPSMN-HNNXBMFYSA-N -1 3 314.429 3.905 20 30 DHEDHM CC(C)(CC#N)CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001590615111 990286742 /nfs/dbraw/zinc/28/67/42/990286742.db2.gz JPZALLHDYLWUAM-UHFFFAOYSA-N -1 3 312.369 3.674 20 30 DHEDHM N#CCCN(Cc1c([O-])ccc2ccccc21)CC(F)(F)F ZINC000176056034 1015738792 /nfs/dbraw/zinc/73/87/92/1015738792.db2.gz DHHLMBMKAWPXCK-UHFFFAOYSA-N -1 3 308.303 3.823 20 30 DHEDHM CC(N=Nc1ccc(Br)cn1)c1ccc([O-])c(F)c1 ZINC000728429727 1016092068 /nfs/dbraw/zinc/09/20/68/1016092068.db2.gz NNIKDFMWUHDWCM-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)[nH]1 ZINC000684675783 1016170851 /nfs/dbraw/zinc/17/08/51/1016170851.db2.gz OPINWEOPKNSGIO-GFCCVEGCSA-N -1 3 301.415 3.876 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000081690317 1016450054 /nfs/dbraw/zinc/45/00/54/1016450054.db2.gz FHKYPNCAMYPGLI-SNVBAGLBSA-N -1 3 301.371 3.630 20 30 DHEDHM COc1cc(C(=O)/C=C/C2=Cc3ccccc3OC2)ccc1[O-] ZINC000161260465 1016699670 /nfs/dbraw/zinc/69/96/70/1016699670.db2.gz BHWHZOSESPBLRX-SOFGYWHQSA-N -1 3 308.333 3.616 20 30 DHEDHM CCc1cnccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362192526 1032266256 /nfs/dbraw/zinc/26/62/56/1032266256.db2.gz SVFCKUYVFRWYHD-CYBMUJFWSA-N -1 3 319.286 3.548 20 30 DHEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(CC)ccc1[O-] ZINC000537638907 1032512687 /nfs/dbraw/zinc/51/26/87/1032512687.db2.gz MXBJGORRYXLWQI-UHFFFAOYSA-N -1 3 309.409 3.826 20 30 DHEDHM CCCCn1cc(C/N=C/c2cc(Cl)ccc2[O-])c(C)n1 ZINC000773154287 1032582066 /nfs/dbraw/zinc/58/20/66/1032582066.db2.gz XXDMVNPUANQPKI-GIJQJNRQSA-N -1 3 305.809 3.970 20 30 DHEDHM CCCc1nc(C)c(CN[C@@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926476973 1018309070 /nfs/dbraw/zinc/30/90/70/1018309070.db2.gz RHMJJCHUSRDUMA-HNNXBMFYSA-N -1 3 313.401 3.754 20 30 DHEDHM CCC(=NNc1cc(F)cc(OC)c1)c1ccc([O-])c(F)c1 ZINC000764697537 1018352832 /nfs/dbraw/zinc/35/28/32/1018352832.db2.gz YPCXPKPZTSJFDC-UHFFFAOYSA-N -1 3 306.312 3.905 20 30 DHEDHM N#Cc1cccc(Nc2cccc([O-])c2F)c1Br ZINC001212552527 1018440249 /nfs/dbraw/zinc/44/02/49/1018440249.db2.gz WNSIBZJEWWTYTL-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM Cc1sc([N-]C(=O)c2coc(C(C)(C)C)n2)c(C#N)c1C ZINC000875012474 1032785159 /nfs/dbraw/zinc/78/51/59/1032785159.db2.gz VLNYCZJXVHNDCC-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cccc(CC(F)(F)F)c2)c1O ZINC000255498419 1019468086 /nfs/dbraw/zinc/46/80/86/1019468086.db2.gz HTBJHGCGWRPUOA-UHFFFAOYSA-N -1 3 311.259 3.659 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc3ccccc32)c1[O-] ZINC000005111064 1019752376 /nfs/dbraw/zinc/75/23/76/1019752376.db2.gz FISLHYCMSNPMLJ-XIJPWPHISA-N -1 3 320.392 3.921 20 30 DHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371728 1020216338 /nfs/dbraw/zinc/21/63/38/1020216338.db2.gz XOEKBXMOCNZRGP-CQSZACIVSA-N -1 3 312.394 3.909 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)c1 ZINC000647378035 1020258875 /nfs/dbraw/zinc/25/88/75/1020258875.db2.gz KUSSAJGCRHSDGM-AWEZNQCLSA-N -1 3 312.394 3.828 20 30 DHEDHM Cc1noc(C)c1[C@@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000733749981 1020437453 /nfs/dbraw/zinc/43/74/53/1020437453.db2.gz HPPKIFWHVNZJND-QWFSEIHXSA-N -1 3 323.190 3.940 20 30 DHEDHM CCCc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)co1 ZINC000282557948 1020457399 /nfs/dbraw/zinc/45/73/99/1020457399.db2.gz JOBOAOODTNSNTL-UHFFFAOYSA-N -1 3 315.398 3.691 20 30 DHEDHM Cc1ncc2c(n1)CCC[C@@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000734753332 1020653242 /nfs/dbraw/zinc/65/32/42/1020653242.db2.gz SJMYKSCCNMNRCM-VDIXJHOCSA-N -1 3 301.777 3.641 20 30 DHEDHM CCn1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000589019085 1020759586 /nfs/dbraw/zinc/75/95/86/1020759586.db2.gz KDSIRJZXQBOGFL-HNNXBMFYSA-N -1 3 318.380 3.558 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(F)cc2Cl)c1[O-] ZINC000735978983 1020781174 /nfs/dbraw/zinc/78/11/74/1020781174.db2.gz RTNUTVAXEIHERH-PIPHKAODSA-N -1 3 322.767 3.561 20 30 DHEDHM C#CCOc1ccc(F)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000741463251 1021008269 /nfs/dbraw/zinc/00/82/69/1021008269.db2.gz BSITUQSCQGNXKA-UHFFFAOYSA-N -1 3 303.720 3.947 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2c(c1)CCO2 ZINC000917520272 1021288115 /nfs/dbraw/zinc/28/81/15/1021288115.db2.gz ZASGHSGEXVFUEK-AVMBBCFPSA-N -1 3 310.324 3.850 20 30 DHEDHM CC(C)c1ccc([C@@H](C)NN=C2c3ccc([O-])cc3NC2=O)cc1 ZINC000917550900 1021299448 /nfs/dbraw/zinc/29/94/48/1021299448.db2.gz DXIHTXKBTDBQRJ-GFCCVEGCSA-N -1 3 323.396 3.523 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000069788463 1021363586 /nfs/dbraw/zinc/36/35/86/1021363586.db2.gz PJTQMLCUGBMMDK-UHFFFAOYSA-N -1 3 324.424 3.737 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](CC(C)C)c2cccs2)c1[O-] ZINC000918155306 1021472363 /nfs/dbraw/zinc/47/23/63/1021472363.db2.gz SXKYPDMHYAMIDI-HBFFOVPNSA-N -1 3 318.442 3.856 20 30 DHEDHM C=CC(C)(C)CC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000892737064 1021587840 /nfs/dbraw/zinc/58/78/40/1021587840.db2.gz WQTITDOVZXQKLQ-UHFFFAOYSA-N -1 3 312.369 3.665 20 30 DHEDHM COc1cc(C=NNc2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC000920374504 1022111420 /nfs/dbraw/zinc/11/14/20/1022111420.db2.gz CWGLASZMUSWSCX-UHFFFAOYSA-N -1 3 312.703 3.778 20 30 DHEDHM CCCCCCCC[C@@H](C)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205289 1022233311 /nfs/dbraw/zinc/23/33/11/1022233311.db2.gz PATPVAVZTGCSBZ-CQSZACIVSA-N -1 3 319.449 3.848 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000103358323 1022503380 /nfs/dbraw/zinc/50/33/80/1022503380.db2.gz PYSOFOAXVUNARW-UHFFFAOYSA-N -1 3 316.144 3.713 20 30 DHEDHM COc1ccc2c(c1)[C@@H](/N=C/c1cc(Cl)ccc1[O-])CCO2 ZINC000767337364 1022688033 /nfs/dbraw/zinc/68/80/33/1022688033.db2.gz KGRPQZRWMOTAAS-RPJLVFAOSA-N -1 3 317.772 3.997 20 30 DHEDHM CC(C)(C)c1cc([O-])c(CN(CCC#N)CCC#N)cc1Cl ZINC001248885318 1033073824 /nfs/dbraw/zinc/07/38/24/1033073824.db2.gz RWBKWMJOLFEFPP-UHFFFAOYSA-N -1 3 319.836 3.972 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000856030324 1022740051 /nfs/dbraw/zinc/74/00/51/1022740051.db2.gz CROKSMKBNMPOQL-NSHDSACASA-N -1 3 301.308 3.823 20 30 DHEDHM C=CCCO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000856033372 1022740105 /nfs/dbraw/zinc/74/01/05/1022740105.db2.gz DLOVOTPAPGTWEF-UHFFFAOYSA-N -1 3 301.308 3.652 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000856032487 1022740800 /nfs/dbraw/zinc/74/08/00/1022740800.db2.gz OXQLICURUDFEAH-NSHDSACASA-N -1 3 301.308 3.823 20 30 DHEDHM C[C@@H]1CC(/N=C\c2cc(Br)ccc2[O-])C[C@@H](C)O1 ZINC000767879979 1022829520 /nfs/dbraw/zinc/82/95/20/1022829520.db2.gz YMBLUJZBLALEPY-YKDPKYFUSA-N -1 3 312.207 3.530 20 30 DHEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c(F)ccc([O-])c1F ZINC000418138261 1022969210 /nfs/dbraw/zinc/96/92/10/1022969210.db2.gz CHUTWXXYSJEGEV-INIZCTEOSA-N -1 3 314.335 3.709 20 30 DHEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(C)cc1[O-] ZINC000769829145 1023225452 /nfs/dbraw/zinc/22/54/52/1023225452.db2.gz BJVIWLTZSNSGQK-UHFFFAOYSA-N -1 3 303.293 3.584 20 30 DHEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)ccc1[N+](=O)[O-] ZINC000770574726 1023326207 /nfs/dbraw/zinc/32/62/07/1023326207.db2.gz ZGJFNWWQSJSNJA-QPJJXVBHSA-N -1 3 313.309 3.514 20 30 DHEDHM C=CC[C@@H]1CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC000859446190 1033143319 /nfs/dbraw/zinc/14/33/19/1033143319.db2.gz WUFMOGRLSREDGH-LLVKDONJSA-N -1 3 319.788 3.550 20 30 DHEDHM COC[C@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000746815056 1024086359 /nfs/dbraw/zinc/08/63/59/1024086359.db2.gz FPNGUNRSNSASQJ-ZVCOJXFSSA-N -1 3 303.789 3.722 20 30 DHEDHM C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1F)c1cccc(C#N)c1[O-] ZINC000883377582 1024410841 /nfs/dbraw/zinc/41/08/41/1024410841.db2.gz LHRMBBRTRKTUCS-UYHISHBKSA-N -1 3 310.372 3.940 20 30 DHEDHM N#C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C1CCCCC1 ZINC000791377626 1024478846 /nfs/dbraw/zinc/47/88/46/1024478846.db2.gz CJUIPNAPRYDJOB-CQSZACIVSA-N -1 3 314.410 3.809 20 30 DHEDHM CCSCc1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)no1 ZINC000348854958 1024634419 /nfs/dbraw/zinc/63/44/19/1024634419.db2.gz FBCKGLZQWAOWJM-UHFFFAOYSA-N -1 3 321.427 3.730 20 30 DHEDHM C#Cc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001299356625 1024673907 /nfs/dbraw/zinc/67/39/07/1024673907.db2.gz SVBDMWPRXXLQPJ-UHFFFAOYSA-N -1 3 307.374 3.518 20 30 DHEDHM C=C[C@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228956347 1024820588 /nfs/dbraw/zinc/82/05/88/1024820588.db2.gz OITIRNSPIRFZQU-ZDUSSCGKSA-N -1 3 306.159 3.856 20 30 DHEDHM C=C(Cl)CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134932568 1025143995 /nfs/dbraw/zinc/14/39/95/1025143995.db2.gz RWYCFIOGEJXQCC-ZETCQYMHSA-N -1 3 308.578 3.697 20 30 DHEDHM COc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555640 1025411431 /nfs/dbraw/zinc/41/14/31/1025411431.db2.gz DBLCNRAYZSKYLU-GFCCVEGCSA-N -1 3 320.270 3.599 20 30 DHEDHM CC(C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000079700640 1025966254 /nfs/dbraw/zinc/96/62/54/1025966254.db2.gz WJTRNDPPQWOILW-SNVBAGLBSA-N -1 3 312.295 3.851 20 30 DHEDHM CC(C)[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000079700640 1025966260 /nfs/dbraw/zinc/96/62/60/1025966260.db2.gz WJTRNDPPQWOILW-SNVBAGLBSA-N -1 3 312.295 3.851 20 30 DHEDHM Cc1csc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C#N ZINC000809004874 1026433180 /nfs/dbraw/zinc/43/31/80/1026433180.db2.gz IJKKBINITIYXKJ-UHFFFAOYSA-N -1 3 319.317 3.536 20 30 DHEDHM C=CCSc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000362757888 1027373658 /nfs/dbraw/zinc/37/36/58/1027373658.db2.gz UBCPAOCHNVDXDK-UHFFFAOYSA-N -1 3 317.385 3.739 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000815112454 1028358843 /nfs/dbraw/zinc/35/88/43/1028358843.db2.gz REUKJOBBOGCNAL-UHFFFAOYSA-N -1 3 316.760 3.777 20 30 DHEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000816621113 1028967873 /nfs/dbraw/zinc/96/78/73/1028967873.db2.gz ZXZGHSGXPDHLHA-HNNXBMFYSA-N -1 3 320.389 3.505 20 30 DHEDHM C[C@H](CC#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817524270 1029188805 /nfs/dbraw/zinc/18/88/05/1029188805.db2.gz QLOCPPHNJIZXNC-SSDOTTSWSA-N -1 3 307.127 3.504 20 30 DHEDHM CC[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000817706636 1029230890 /nfs/dbraw/zinc/23/08/90/1029230890.db2.gz DLOGQIIBFBPQHE-LINIDBDUSA-N -1 3 312.207 3.531 20 30 DHEDHM CCOc1cc(C=NN[C@H](C)c2ccncc2)cc(Cl)c1[O-] ZINC000819815928 1029614111 /nfs/dbraw/zinc/61/41/11/1029614111.db2.gz VFFBPQRBHFHQTM-LLVKDONJSA-N -1 3 319.792 3.524 20 30 DHEDHM COc1cccc(F)c1[C@H](C)N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866273058 1030194927 /nfs/dbraw/zinc/19/49/27/1030194927.db2.gz BZTJDMXZLBJVIX-NEPJUHHUSA-N -1 3 314.360 3.823 20 30 DHEDHM COc1cccc(F)c1[C@H](C)N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866273060 1030194970 /nfs/dbraw/zinc/19/49/70/1030194970.db2.gz BZTJDMXZLBJVIX-RYUDHWBXSA-N -1 3 314.360 3.823 20 30 DHEDHM COc1ccc(OC)c(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794932475 1030379192 /nfs/dbraw/zinc/37/91/92/1030379192.db2.gz WHQLBCLZLKSYMR-XQRVVYSFSA-N -1 3 320.291 3.584 20 30 DHEDHM COc1cc(C)ccc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794937961 1030393525 /nfs/dbraw/zinc/39/35/25/1030393525.db2.gz JLYFKDCAMHIDNK-FNORWQNLSA-N -1 3 304.292 3.884 20 30 DHEDHM CC[C@H](NCc1nc(C2CC2)cs1)c1cccc(C#N)c1[O-] ZINC000925550172 1030398659 /nfs/dbraw/zinc/39/86/59/1030398659.db2.gz YDONEFJLSVQJPD-AWEZNQCLSA-N -1 3 313.426 3.839 20 30 DHEDHM CCCCCCCCCS(=O)(=O)[N-]c1c(C)n[nH]c1C ZINC000844826488 1031364540 /nfs/dbraw/zinc/36/45/40/1031364540.db2.gz SEVQANGKDXKAKL-UHFFFAOYSA-N -1 3 301.456 3.519 20 30 DHEDHM CC(C)N(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000536686049 1031391510 /nfs/dbraw/zinc/39/15/10/1031391510.db2.gz SRTNIIADBNVUBY-UHFFFAOYSA-N -1 3 324.380 3.949 20 30 DHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(CC)CC ZINC000361196525 1031782277 /nfs/dbraw/zinc/78/22/77/1031782277.db2.gz YNEXVBSZXPXMPV-CQSZACIVSA-N -1 3 310.401 3.692 20 30 DHEDHM CCc1cnccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361524716 1031971348 /nfs/dbraw/zinc/97/13/48/1031971348.db2.gz LMVQFJDPOQTNSG-KRWDZBQOSA-N -1 3 301.349 3.682 20 30 DHEDHM N#CC(=C([O-])c1coc2cc(F)ccc21)c1nc2ccccc2[nH]1 ZINC000361655256 1032038197 /nfs/dbraw/zinc/03/81/97/1032038197.db2.gz OLAHMEISTMFDFS-LBPRGKRZSA-N -1 3 319.295 3.938 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000846756732 1032050930 /nfs/dbraw/zinc/05/09/30/1032050930.db2.gz LDJSFYVNLAXRJB-LCBZFGTGSA-N -1 3 321.726 3.965 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NC1CCCSCC1 ZINC000863125206 1034000935 /nfs/dbraw/zinc/00/09/35/1034000935.db2.gz PVQWDIKCSKRFFX-UHFFFAOYSA-N -1 3 304.444 3.977 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC001174174460 1034198318 /nfs/dbraw/zinc/19/83/18/1034198318.db2.gz SXLAVIKRYIVBFZ-UHFFFAOYSA-N -1 3 321.380 3.634 20 30 DHEDHM COC(=O)c1ccc(F)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000863950909 1034229933 /nfs/dbraw/zinc/22/99/33/1034229933.db2.gz UZOKRLCHRVBTHD-UHFFFAOYSA-N -1 3 307.708 3.722 20 30 DHEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(Cl)c(C#N)c1 ZINC001174404494 1034388929 /nfs/dbraw/zinc/38/89/29/1034388929.db2.gz QIJOVMPRKDEJNH-UHFFFAOYSA-N -1 3 320.707 3.587 20 30 DHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccnn1CC1CCC1 ZINC000899411888 1034649706 /nfs/dbraw/zinc/64/97/06/1034649706.db2.gz CMTUKZSXDWKROM-GQCTYLIASA-N -1 3 318.323 3.563 20 30 DHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000128604287 1034983317 /nfs/dbraw/zinc/98/33/17/1034983317.db2.gz NOTSHUQORGEUNW-KRWDZBQOSA-N -1 3 324.380 3.892 20 30 DHEDHM CC(C)Cn1nccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000567849885 1035041882 /nfs/dbraw/zinc/04/18/82/1035041882.db2.gz MQHFHWQBKNKSTO-INIZCTEOSA-N -1 3 318.380 3.577 20 30 DHEDHM CCCCCCCNC(=S)Nc1c([O-])cccc1C(C)=O ZINC001249642427 1035299989 /nfs/dbraw/zinc/29/99/89/1035299989.db2.gz BHXRCEIRURDSIN-UHFFFAOYSA-N -1 3 308.447 3.852 20 30 DHEDHM O=C(C[C@@H]1CCC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC000904192969 1035383851 /nfs/dbraw/zinc/38/38/51/1035383851.db2.gz GWAQEOZTVODWGL-JTQLQIEISA-N -1 3 303.736 3.883 20 30 DHEDHM O=C(c1ccn(C2CCCC2)n1)N([O-])Cc1ccccc1Cl ZINC000904190639 1035383971 /nfs/dbraw/zinc/38/39/71/1035383971.db2.gz OPHYTLDQWIAGMP-UHFFFAOYSA-N -1 3 319.792 3.683 20 30 DHEDHM CC(C)(C)c1cc([N-]S(=O)(=O)CC#N)cc(C(C)(C)C)c1 ZINC001192980515 1035534535 /nfs/dbraw/zinc/53/45/35/1035534535.db2.gz MMIJWLSINNMQOJ-UHFFFAOYSA-N -1 3 308.447 3.547 20 30 DHEDHM CCCCCCCC[C@@H](CO)NC(=O)c1ccc(C)cc1[O-] ZINC001180481231 1035682705 /nfs/dbraw/zinc/68/27/05/1035682705.db2.gz VRBYBHAKMMJRFM-HNNXBMFYSA-N -1 3 307.434 3.542 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Oc1ccccc1C(F)(F)F ZINC001195200117 1036178405 /nfs/dbraw/zinc/17/84/05/1036178405.db2.gz JZTPRNSJMBZPKE-UHFFFAOYSA-N -1 3 322.242 3.894 20 30 DHEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)c[nH]2)ccc1[O-] ZINC001195650351 1036309242 /nfs/dbraw/zinc/30/92/42/1036309242.db2.gz HJHDIRRMEAXQOW-UHFFFAOYSA-N -1 3 303.321 3.511 20 30 DHEDHM C#CCCc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000762009761 1036460217 /nfs/dbraw/zinc/46/02/17/1036460217.db2.gz AUGARZSKVYTWRQ-UHFFFAOYSA-N -1 3 304.349 3.599 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001184305768 1036793292 /nfs/dbraw/zinc/79/32/92/1036793292.db2.gz QGBLQOVMNAXTBS-GOEBONIOSA-N -1 3 321.417 3.605 20 30 DHEDHM CCCCCCN([O-])C(=O)c1oc(Br)cc1C ZINC001184305600 1036794318 /nfs/dbraw/zinc/79/43/18/1036794318.db2.gz NHKYQVLPSILRSN-UHFFFAOYSA-N -1 3 304.184 3.762 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001184315321 1036796329 /nfs/dbraw/zinc/79/63/29/1036796329.db2.gz XDQKGRBQYMZYBT-CYBMUJFWSA-N -1 3 315.454 3.789 20 30 DHEDHM CCCCN([O-])C(=O)CSc1cccc(Br)c1 ZINC001184314678 1036796471 /nfs/dbraw/zinc/79/64/71/1036796471.db2.gz GALSQGWHUGIQDG-UHFFFAOYSA-N -1 3 318.236 3.559 20 30 DHEDHM O=C(CCCOc1ccccc1)N([O-])Cc1ccccc1Cl ZINC001184283809 1036802612 /nfs/dbraw/zinc/80/26/12/1036802612.db2.gz RGNPLABYVRNJTJ-UHFFFAOYSA-N -1 3 319.788 3.917 20 30 DHEDHM CO[C@@H]1CCC[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001184340910 1036816361 /nfs/dbraw/zinc/81/63/61/1036816361.db2.gz SXBCGVRNEYGTJL-NVXWUHKLSA-N -1 3 313.397 3.763 20 30 DHEDHM C#Cc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000314975205 1037217636 /nfs/dbraw/zinc/21/76/36/1037217636.db2.gz GBHAIKFLUJZVOC-UHFFFAOYSA-N -1 3 302.171 3.748 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(C)ccc2C)c(OC)cc1[O-] ZINC000763105541 1037259704 /nfs/dbraw/zinc/25/97/04/1037259704.db2.gz LTTPFTBFPJGXPR-FPLPWBNLSA-N -1 3 312.365 3.922 20 30 DHEDHM C=CCn1c(SCc2c(C)ccc3ccccc32)n[n-]c1=O ZINC000489647247 1037506252 /nfs/dbraw/zinc/50/62/52/1037506252.db2.gz KDGDMSWRIBLIQH-UHFFFAOYSA-N -1 3 311.410 3.924 20 30 DHEDHM CC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(Cl)ccc1[O-] ZINC000915915554 1037604468 /nfs/dbraw/zinc/60/44/68/1037604468.db2.gz BGBNBJLTURSSNJ-UHFFFAOYSA-N -1 3 300.749 3.758 20 30 DHEDHM NC(=O)c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1Cl ZINC000912962522 1037671506 /nfs/dbraw/zinc/67/15/06/1037671506.db2.gz RJKNDAHQKQCVMA-UHFFFAOYSA-N -1 3 309.152 3.549 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1ncc(Cl)cc1F ZINC001187993220 1037774886 /nfs/dbraw/zinc/77/48/86/1037774886.db2.gz NWFCYSYZCSVXPS-UHFFFAOYSA-N -1 3 322.833 3.976 20 30 DHEDHM CC(C)(C)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)s1 ZINC001188252961 1037859501 /nfs/dbraw/zinc/85/95/01/1037859501.db2.gz UCUMKNHBWDBUHL-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000124422235 1037896945 /nfs/dbraw/zinc/89/69/45/1037896945.db2.gz DUWHLUFNSUCROI-UHFFFAOYSA-N -1 3 311.381 3.538 20 30 DHEDHM CC(F)(F)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001190516890 1038332788 /nfs/dbraw/zinc/33/27/88/1038332788.db2.gz NXCDQODWEMMESD-UHFFFAOYSA-N -1 3 302.280 3.628 20 30 DHEDHM O=C(CCc1cccc(Cl)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571844 1038505260 /nfs/dbraw/zinc/50/52/60/1038505260.db2.gz OEUIRCPWVJOADA-UHFFFAOYSA-N -1 3 318.686 3.698 20 30 DHEDHM O=C(CCc1cccc(Cl)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571844 1038505267 /nfs/dbraw/zinc/50/52/67/1038505267.db2.gz OEUIRCPWVJOADA-UHFFFAOYSA-N -1 3 318.686 3.698 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2ncccc2F)c(C#N)s1 ZINC000598827723 1038901621 /nfs/dbraw/zinc/90/16/21/1038901621.db2.gz ZXFCCCQBYFSLQU-UHFFFAOYSA-N -1 3 303.362 3.704 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000602344815 1040974058 /nfs/dbraw/zinc/97/40/58/1040974058.db2.gz WUJBZHYUVZBNIU-WPRPVWTQSA-N -1 3 315.398 3.854 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(F)c(Cl)c1Cl ZINC000417605733 335006185 /nfs/dbraw/zinc/00/61/85/335006185.db2.gz CCRXQWJWOISCFJ-VIFPVBQESA-N -1 3 306.164 3.642 20 30 DHEDHM C=CCOc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417629338 335018301 /nfs/dbraw/zinc/01/83/01/335018301.db2.gz WZJJAKMCJCKJST-OALUTQOASA-N -1 3 323.392 3.654 20 30 DHEDHM C=C(C)[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000192790732 335039206 /nfs/dbraw/zinc/03/92/06/335039206.db2.gz UFAFFLVGWBJDFA-BDJLRTHQSA-N -1 3 319.355 3.737 20 30 DHEDHM N#Cc1c([N-]C(=O)c2cscn2)sc2c1CCCCC2 ZINC000062659581 184246844 /nfs/dbraw/zinc/24/68/44/184246844.db2.gz BWVFRFWBFRRJPR-UHFFFAOYSA-N -1 3 303.412 3.597 20 30 DHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cocn3)c(C#N)c2[C@H]1C ZINC000297807654 132034804 /nfs/dbraw/zinc/03/48/04/132034804.db2.gz LJXUYWDZYGIMPG-BDAKNGLRSA-N -1 3 301.371 3.546 20 30 DHEDHM N#CC1(CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000538658622 435511636 /nfs/dbraw/zinc/51/16/36/435511636.db2.gz DKILBMVMWDTLMU-UHFFFAOYSA-N -1 3 306.391 3.817 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000292852589 335096158 /nfs/dbraw/zinc/09/61/58/335096158.db2.gz RNXOWYHFBUQTMM-VIFPVBQESA-N -1 3 305.271 3.677 20 30 DHEDHM O=C1OCCN1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255008630 332266815 /nfs/dbraw/zinc/26/68/15/332266815.db2.gz DGBOWRJLHQGBLU-UHFFFAOYSA-N -1 3 316.744 3.753 20 30 DHEDHM C=CCC(C)(C)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000293803895 335117793 /nfs/dbraw/zinc/11/77/93/335117793.db2.gz PWSLCRQNIRNXCM-UHFFFAOYSA-N -1 3 301.308 3.743 20 30 DHEDHM C=CCC(C)(C)CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000293833861 335117699 /nfs/dbraw/zinc/11/76/99/335117699.db2.gz SUNCQQYACBOGFA-UHFFFAOYSA-N -1 3 316.376 3.720 20 30 DHEDHM CC(C)(C)C[C@H](/N=C/c1ccc(O)c([O-])c1O)C(F)(F)F ZINC000182047980 333175038 /nfs/dbraw/zinc/17/50/38/333175038.db2.gz CJGUHAMKDWWWBE-DSSNYXJPSA-N -1 3 305.296 3.589 20 30 DHEDHM Cc1cc(Cl)cc(CN(CCC#N)Cc2ccco2)c1[O-] ZINC000183499030 333185492 /nfs/dbraw/zinc/18/54/92/333185492.db2.gz MUNMUECMBOEXSS-UHFFFAOYSA-N -1 3 304.777 3.863 20 30 DHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NOC/C=C\Cl)s1 ZINC000497172333 333201768 /nfs/dbraw/zinc/20/17/68/333201768.db2.gz YSQYUAOTYWHSLU-MZCWLDHNSA-N -1 3 317.798 3.593 20 30 DHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NOC2CCCC2)s1 ZINC000496696234 333398662 /nfs/dbraw/zinc/39/86/62/333398662.db2.gz UECAVQTXNJREGA-UHFFFAOYSA-N -1 3 311.407 3.783 20 30 DHEDHM COCCCOc1ccc(/N=C/c2ccccc2[O-])cc1OC ZINC000285584282 334148698 /nfs/dbraw/zinc/14/86/98/334148698.db2.gz SQYMCHUUSKFKIR-CPNJWEJPSA-N -1 3 315.369 3.567 20 30 DHEDHM CC[C@](C)(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000285668959 334149172 /nfs/dbraw/zinc/14/91/72/334149172.db2.gz DVAGRWBKKJNXMO-LJQANCHMSA-N -1 3 308.381 3.861 20 30 DHEDHM N#CCCN(Cc1ccco1)Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290505889 334173191 /nfs/dbraw/zinc/17/31/91/334173191.db2.gz SVAJHLJMHWMDMI-UHFFFAOYSA-N -1 3 324.302 3.920 20 30 DHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000293408996 334197920 /nfs/dbraw/zinc/19/79/20/334197920.db2.gz RXDHBMVGPGBTEY-LLVKDONJSA-N -1 3 305.403 3.544 20 30 DHEDHM CC1(C)CC[C@@H](CNC(=O)c2cc([O-])ccc2C(F)(F)F)O1 ZINC000330441401 334785196 /nfs/dbraw/zinc/78/51/96/334785196.db2.gz UYAAOZSWYGUBJM-JTQLQIEISA-N -1 3 317.307 3.673 20 30 DHEDHM N#CCCCn1cc(C(=O)Nc2ccccc2[O-])c2ccccc21 ZINC000443983625 338465393 /nfs/dbraw/zinc/46/53/93/338465393.db2.gz VSJMOPUHPWEUOP-UHFFFAOYSA-N -1 3 319.364 3.903 20 30 DHEDHM Cc1c([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cnn1C ZINC000331233803 334849128 /nfs/dbraw/zinc/84/91/28/334849128.db2.gz KFFNQWDJOGPCNV-LLVKDONJSA-N -1 3 301.390 3.623 20 30 DHEDHM Cc1csc([N-]C(=O)c2cnc(C(C)(C)C)s2)c1C#N ZINC000344916218 335288626 /nfs/dbraw/zinc/28/86/26/335288626.db2.gz BXODDHMDGVMQNN-UHFFFAOYSA-N -1 3 305.428 3.935 20 30 DHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cs1 ZINC000345427420 335325304 /nfs/dbraw/zinc/32/53/04/335325304.db2.gz LTQJKHHCBFIPCY-GFCCVEGCSA-N -1 3 323.377 3.626 20 30 DHEDHM C[C@@H](C(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000349515602 335678284 /nfs/dbraw/zinc/67/82/84/335678284.db2.gz CPZFVUYLGVADIM-XVKPBYJWSA-N -1 3 324.224 3.585 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2oc(C3CC3)nc2C)c1C#N ZINC000352938488 336378422 /nfs/dbraw/zinc/37/84/22/336378422.db2.gz LKHUSFNCXKBCBC-UHFFFAOYSA-N -1 3 315.398 3.917 20 30 DHEDHM Cc1scc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000180731552 337177511 /nfs/dbraw/zinc/17/75/11/337177511.db2.gz CBQCTMVLSLRCGH-LBPRGKRZSA-N -1 3 309.394 3.742 20 30 DHEDHM N#Cc1c([N-]C(=O)c2cc(F)ccc2F)sc2c1CCC2 ZINC000060776435 337923467 /nfs/dbraw/zinc/92/34/67/337923467.db2.gz JVDHCXHUYVYIKY-UHFFFAOYSA-N -1 3 304.321 3.639 20 30 DHEDHM CC(C)CCN(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436562897 338277300 /nfs/dbraw/zinc/27/73/00/338277300.db2.gz CAVYZFOAIFYRKI-UHFFFAOYSA-N -1 3 314.429 3.673 20 30 DHEDHM C=C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436569951 338277660 /nfs/dbraw/zinc/27/76/60/338277660.db2.gz KREBISVJLUAOHD-UHFFFAOYSA-N -1 3 321.420 3.970 20 30 DHEDHM CC[C@@H](CC#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436963759 338296125 /nfs/dbraw/zinc/29/61/25/338296125.db2.gz HASCYYHJZXXPAN-ZDUSSCGKSA-N -1 3 310.353 3.607 20 30 DHEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000438178842 338335069 /nfs/dbraw/zinc/33/50/69/338335069.db2.gz WVABDMVKGIWTJQ-AWEZNQCLSA-N -1 3 317.307 3.578 20 30 DHEDHM CC(C)(C)CN(CCC#N)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459341264 339022990 /nfs/dbraw/zinc/02/29/90/339022990.db2.gz NZKCFTGTEREXDW-UHFFFAOYSA-N -1 3 324.428 3.611 20 30 DHEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCCCc2ccccc21 ZINC000470837061 339328890 /nfs/dbraw/zinc/32/88/90/339328890.db2.gz RJJZUCQHCHGWHD-CQSZACIVSA-N -1 3 301.415 3.730 20 30 DHEDHM C=CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000472694045 339376321 /nfs/dbraw/zinc/37/63/21/339376321.db2.gz SFJNEQKDGUYIGO-UHFFFAOYSA-N -1 3 308.230 3.628 20 30 DHEDHM C=CCCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000476917717 339483017 /nfs/dbraw/zinc/48/30/17/339483017.db2.gz BYEAJGKUPVLAMJ-UHFFFAOYSA-N -1 3 315.291 3.976 20 30 DHEDHM Cc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c([O-])c1 ZINC000504649767 340150605 /nfs/dbraw/zinc/15/06/05/340150605.db2.gz ILKJNJCVDRVLBU-UHFFFAOYSA-N -1 3 312.344 3.628 20 30 DHEDHM CC(C)c1cc(C(=O)N[C@H](C#N)C2CC2)c([O-])c(C(C)C)c1 ZINC000505911989 340181487 /nfs/dbraw/zinc/18/14/87/340181487.db2.gz HZHFKYGJGWYNDP-MRXNPFEDSA-N -1 3 300.402 3.671 20 30 DHEDHM C=CCN(Cc1cc([O-])ccc1Br)CC(F)(F)F ZINC000511912969 340342778 /nfs/dbraw/zinc/34/27/78/340342778.db2.gz UIGBCQBCZYFVSP-UHFFFAOYSA-N -1 3 324.140 3.705 20 30 DHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000523880704 340643638 /nfs/dbraw/zinc/64/36/38/340643638.db2.gz RVXDOSUJFGCTAS-SECBINFHSA-N -1 3 308.230 3.545 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 ZINC000538745115 340846653 /nfs/dbraw/zinc/84/66/53/340846653.db2.gz SZTLXQVUTTYSHS-HNNXBMFYSA-N -1 3 314.772 3.603 20 30 DHEDHM CCc1cccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1[O-] ZINC000542415448 341007163 /nfs/dbraw/zinc/00/71/63/341007163.db2.gz BGDLHAIIYOKGMD-UHFFFAOYSA-N -1 3 320.392 3.631 20 30 DHEDHM Cc1cc(C#N)cnc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000552018473 341361314 /nfs/dbraw/zinc/36/13/14/341361314.db2.gz YCQZKBIDHSGKSX-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM N#CCc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000555525274 341484070 /nfs/dbraw/zinc/48/40/70/341484070.db2.gz YJACLTXJHBZXSK-UHFFFAOYSA-N -1 3 306.365 3.589 20 30 DHEDHM C[C@@H](O[N-]C(=O)CCCc1ccccc1)c1cccc(C#N)c1 ZINC000190092239 525915774 /nfs/dbraw/zinc/91/57/74/525915774.db2.gz OCQNYIATCSTDDV-OAHLLOKOSA-N -1 3 308.381 3.690 20 30 DHEDHM C[C@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820450300 599470939 /nfs/dbraw/zinc/47/09/39/599470939.db2.gz JIXYRVRYMSIZLH-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820450300 599470940 /nfs/dbraw/zinc/47/09/40/599470940.db2.gz JIXYRVRYMSIZLH-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000736660766 600421951 /nfs/dbraw/zinc/42/19/51/600421951.db2.gz BKFNWAHAYGTROI-MEDUHNTESA-N -1 3 314.772 3.688 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822284739 607460322 /nfs/dbraw/zinc/46/03/22/607460322.db2.gz YGRHPBWYMWCYPX-HJWRWDBZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822284739 607460325 /nfs/dbraw/zinc/46/03/25/607460325.db2.gz YGRHPBWYMWCYPX-HJWRWDBZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(C)s1 ZINC000822162251 606389220 /nfs/dbraw/zinc/38/92/20/606389220.db2.gz ZMFAQXPLWWTNBB-HYXAFXHYSA-N -1 3 316.411 3.503 20 30 DHEDHM CC(C)(C#N)CCSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819891920 606628421 /nfs/dbraw/zinc/62/84/21/606628421.db2.gz LUAVPMQTXVDBKO-UHFFFAOYSA-N -1 3 307.810 3.552 20 30 DHEDHM CC(C)(C#N)CCSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819891920 606628422 /nfs/dbraw/zinc/62/84/22/606628422.db2.gz LUAVPMQTXVDBKO-UHFFFAOYSA-N -1 3 307.810 3.552 20 30 DHEDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820556175 607011401 /nfs/dbraw/zinc/01/14/01/607011401.db2.gz SKSQPRMJPXORQA-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820556175 607011403 /nfs/dbraw/zinc/01/14/03/607011403.db2.gz SKSQPRMJPXORQA-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826264090 609134167 /nfs/dbraw/zinc/13/41/67/609134167.db2.gz BOXRLGRLMVEFCX-ZZXKWVIFSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826264090 609134168 /nfs/dbraw/zinc/13/41/68/609134168.db2.gz BOXRLGRLMVEFCX-ZZXKWVIFSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826285044 609272143 /nfs/dbraw/zinc/27/21/43/609272143.db2.gz OEJJPIXAIRHACO-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826285044 609272145 /nfs/dbraw/zinc/27/21/45/609272145.db2.gz OEJJPIXAIRHACO-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826286335 609274428 /nfs/dbraw/zinc/27/44/28/609274428.db2.gz YWXLDSJJRAMUFB-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826286335 609274430 /nfs/dbraw/zinc/27/44/30/609274430.db2.gz YWXLDSJJRAMUFB-VMPITWQZSA-N -1 3 322.343 3.519 20 30 DHEDHM C#CCN(Cc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001573327754 958493538 /nfs/dbraw/zinc/49/35/38/958493538.db2.gz VTKHXLNIBFBOBW-IBGZPJMESA-N -1 3 305.377 3.508 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000255110425 1013726859 /nfs/dbraw/zinc/72/68/59/1013726859.db2.gz OFJODXAUECVSJJ-XBGHGCBESA-N -1 3 311.834 3.519 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccc(Cl)cc1 ZINC000255115824 1013738020 /nfs/dbraw/zinc/73/80/20/1013738020.db2.gz WWLFNPGVGUJPJV-VHXYRJIDSA-N -1 3 310.180 3.852 20 30 DHEDHM N#Cc1cc(Nc2cccc(Br)c2C#N)ccc1[O-] ZINC001210529884 1013912813 /nfs/dbraw/zinc/91/28/13/1013912813.db2.gz ZQIHCHJREYZOHW-UHFFFAOYSA-N -1 3 314.142 3.642 20 30 DHEDHM [O-]c1ccc(Br)cc1C=Nc1ccc2c(c1)COC2 ZINC000255141072 1013918671 /nfs/dbraw/zinc/91/86/71/1013918671.db2.gz HHMBKPZRJSYSBJ-UHFFFAOYSA-N -1 3 318.170 3.936 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1COC2(CCCCC2)O1 ZINC000588384498 1014259750 /nfs/dbraw/zinc/25/97/50/1014259750.db2.gz HYRXODNUXZLCEM-BBSXFRJVSA-N -1 3 309.793 3.540 20 30 DHEDHM CCc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000684012374 1014273136 /nfs/dbraw/zinc/27/31/36/1014273136.db2.gz ZTAUPVIJEWXGCT-INIZCTEOSA-N -1 3 301.349 3.682 20 30 DHEDHM C=CC[C@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000656760050 975686600 /nfs/dbraw/zinc/68/66/00/975686600.db2.gz OZBMKFPVWMZEPJ-NHYWBVRUSA-N -1 3 311.784 3.893 20 30 DHEDHM C=C[C@H](N[C@@H](C)c1ccccc1OCc1ccccc1)C(=O)[O-] ZINC001588702252 983919222 /nfs/dbraw/zinc/91/92/22/983919222.db2.gz OGZVNKCIPXBLAR-YOEHRIQHSA-N -1 3 311.381 3.555 20 30 DHEDHM C=CCN(CCc1ccco1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001588829168 984311649 /nfs/dbraw/zinc/31/16/49/984311649.db2.gz GQHLZNAROGRWRH-CYBMUJFWSA-N -1 3 303.358 3.671 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001588832838 984326562 /nfs/dbraw/zinc/32/65/62/984326562.db2.gz SLSWDIKIZWVHBE-UHFFFAOYSA-N -1 3 311.381 3.582 20 30 DHEDHM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000728429803 1016092019 /nfs/dbraw/zinc/09/20/19/1016092019.db2.gz QLXUGGOHVUQZGN-UHFFFAOYSA-N -1 3 323.711 3.929 20 30 DHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccoc1C1CC1 ZINC000342649283 1016920099 /nfs/dbraw/zinc/92/00/99/1016920099.db2.gz WPLPXIFTZAMDGE-ZDUSSCGKSA-N -1 3 305.337 3.534 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000255512457 1016929474 /nfs/dbraw/zinc/92/94/74/1016929474.db2.gz BOLVWDYQFZJIBJ-MRXNPFEDSA-N -1 3 317.772 3.964 20 30 DHEDHM CCc1cnccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362192534 1032267121 /nfs/dbraw/zinc/26/71/21/1032267121.db2.gz SVFCKUYVFRWYHD-ZDUSSCGKSA-N -1 3 319.286 3.548 20 30 DHEDHM CO[C@H]1CCCC[C@@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000799743222 1032446363 /nfs/dbraw/zinc/44/63/63/1032446363.db2.gz ZHKIIUHHAGUREG-VRZLQLBNSA-N -1 3 312.207 3.531 20 30 DHEDHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)(C)CCC#N)cc2)n1 ZINC001148901286 1032451334 /nfs/dbraw/zinc/45/13/34/1032451334.db2.gz YDDFKVOGUKQIIA-UHFFFAOYSA-N -1 3 323.396 3.929 20 30 DHEDHM CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000049456605 1017096499 /nfs/dbraw/zinc/09/64/99/1017096499.db2.gz MGSALSNOEOONCG-ZDUSSCGKSA-N -1 3 323.352 3.777 20 30 DHEDHM N#Cc1cc(COC(=O)c2cc(F)cc(Cl)c2[O-])ccc1F ZINC000751733521 1032568312 /nfs/dbraw/zinc/56/83/12/1032568312.db2.gz BJBIMHLMJPJHQK-UHFFFAOYSA-N -1 3 323.682 3.552 20 30 DHEDHM N#CCCN(CCC#N)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000073140445 1017327376 /nfs/dbraw/zinc/32/73/76/1017327376.db2.gz CBZLHGJQBPIPGG-UHFFFAOYSA-N -1 3 323.396 3.647 20 30 DHEDHM Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1 ZINC000121306691 1017343543 /nfs/dbraw/zinc/34/35/43/1017343543.db2.gz FVPGIWSGZZGHIK-KRXBUXKQSA-N -1 3 322.339 3.922 20 30 DHEDHM N#CCc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000065617489 1018121981 /nfs/dbraw/zinc/12/19/81/1018121981.db2.gz GGDORLZSSVDZAC-UHFFFAOYSA-N -1 3 306.365 3.589 20 30 DHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C)c1 ZINC000114061385 1019455299 /nfs/dbraw/zinc/45/52/99/1019455299.db2.gz LUWOIUDVHFODIW-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000727778542 1019777180 /nfs/dbraw/zinc/77/71/80/1019777180.db2.gz LSJWAWJYLUWFNV-UHFFFAOYSA-N -1 3 323.711 3.929 20 30 DHEDHM CCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)C1CCCCC1 ZINC000728174742 1019911929 /nfs/dbraw/zinc/91/19/29/1019911929.db2.gz ZXWVDRGELPLPNI-LELXDKESSA-N -1 3 304.434 3.756 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000730586935 1020007303 /nfs/dbraw/zinc/00/73/03/1020007303.db2.gz LPJJYGYPMHWQJC-IWQAVIMZSA-N -1 3 311.356 3.981 20 30 DHEDHM N#CC1CCC(COC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000922636574 1020180024 /nfs/dbraw/zinc/18/00/24/1020180024.db2.gz QWOOWONAWFLVSS-UHFFFAOYSA-N -1 3 319.376 3.727 20 30 DHEDHM COC(=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255846084 1020432654 /nfs/dbraw/zinc/43/26/54/1020432654.db2.gz OAESCDQRYJJWIK-UHFFFAOYSA-N -1 3 303.745 3.512 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(C(C)C)s3)nc21 ZINC000448315615 1020777289 /nfs/dbraw/zinc/77/72/89/1020777289.db2.gz GESBHBPXMPJOKK-NSHDSACASA-N -1 3 324.409 3.941 20 30 DHEDHM O=[N+]([O-])c1ccccc1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000741845938 1021060705 /nfs/dbraw/zinc/06/07/05/1021060705.db2.gz ZOYLNEAQTBQFSZ-LICLKQGHSA-N -1 3 304.733 3.615 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)n1 ZINC000659010564 1021107657 /nfs/dbraw/zinc/10/76/57/1021107657.db2.gz PLQWBQUKHPQQHG-OAHLLOKOSA-N -1 3 311.410 3.542 20 30 DHEDHM CS[C@@H]1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000743042415 1021205921 /nfs/dbraw/zinc/20/59/21/1021205921.db2.gz KJXNYPVOVIQHCM-GTZAAGPCSA-N -1 3 314.248 3.858 20 30 DHEDHM COc1cc(C(=O)/C=C/c2nc3c(s2)CCCC3)ccc1[O-] ZINC000776266578 1021198239 /nfs/dbraw/zinc/19/82/39/1021198239.db2.gz SCUNGSGKWBVLSP-CMDGGOBGSA-N -1 3 315.394 3.632 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N ZINC001202287008 1021202788 /nfs/dbraw/zinc/20/27/88/1021202788.db2.gz VSMWAMWKIJGONV-UHFFFAOYSA-N -1 3 310.235 3.518 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccnc1Cl ZINC000728697989 1021677930 /nfs/dbraw/zinc/67/79/30/1021677930.db2.gz AWFNLFOQSXQPEE-FBHKUJJOSA-N -1 3 303.720 3.963 20 30 DHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C(C)(C)C)cc2)c1[O-] ZINC000745624747 1021748248 /nfs/dbraw/zinc/74/82/48/1021748248.db2.gz NGNHENAKQKDSQQ-RGVLZGJSSA-N -1 3 312.413 3.505 20 30 DHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C(C)(C)C)cc2)c1[O-] ZINC000745624743 1021749070 /nfs/dbraw/zinc/74/90/70/1021749070.db2.gz NGNHENAKQKDSQQ-JAIQZWGSSA-N -1 3 312.413 3.505 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(N2CCOCC2)cc1 ZINC000920946033 1022193202 /nfs/dbraw/zinc/19/32/02/1022193202.db2.gz PDFWBUOMAIROSY-UHFFFAOYSA-N -1 3 316.788 3.633 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc2c(c1)OCCCO2 ZINC000920944191 1022193580 /nfs/dbraw/zinc/19/35/80/1022193580.db2.gz QVZXPUNYEICKLV-UHFFFAOYSA-N -1 3 303.745 3.958 20 30 DHEDHM COC(=O)C1CC(c2ccc(-c3ccc([O-])cc3C#N)cc2)C1 ZINC000854201554 1022428583 /nfs/dbraw/zinc/42/85/83/1022428583.db2.gz OMLUHKQPPWMIEM-UHFFFAOYSA-N -1 3 307.349 3.597 20 30 DHEDHM CC(C)(O)C#Cc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212594483 1022529293 /nfs/dbraw/zinc/52/92/93/1022529293.db2.gz ZTMWUJLQKGOKPR-UHFFFAOYSA-N -1 3 301.773 3.912 20 30 DHEDHM C[C@@H]1CCN(C(=S)Nc2ccccc2C#N)c2c([O-])cccc21 ZINC000767436523 1022719543 /nfs/dbraw/zinc/71/95/43/1022719543.db2.gz RYIIJZWIOOKWGG-GFCCVEGCSA-N -1 3 323.421 3.974 20 30 DHEDHM N#Cc1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000114185402 1022804915 /nfs/dbraw/zinc/80/49/15/1022804915.db2.gz BIUUJJIQLFKNRJ-UHFFFAOYSA-N -1 3 316.360 3.502 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1C ZINC000768168554 1022911465 /nfs/dbraw/zinc/91/14/65/1022911465.db2.gz UKUHOPZRYNLKTG-CYBMUJFWSA-N -1 3 316.744 3.511 20 30 DHEDHM CC(C)CC(=N[N-]c1nc2cccnc2s1)c1ccccn1 ZINC000857218379 1022969548 /nfs/dbraw/zinc/96/95/48/1022969548.db2.gz KLBVCAMJQXQSSC-UHFFFAOYSA-N -1 3 311.414 3.949 20 30 DHEDHM CCOc1cc(/C=C/C(=O)c2cscn2)cc(Cl)c1[O-] ZINC000769264842 1023110569 /nfs/dbraw/zinc/11/05/69/1023110569.db2.gz NUVAEPAWRDRJDX-ONEGZZNKSA-N -1 3 309.774 3.797 20 30 DHEDHM C#Cc1cccc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000769762487 1023202853 /nfs/dbraw/zinc/20/28/53/1023202853.db2.gz IYHZAGYKISVIPO-UHFFFAOYSA-N -1 3 305.377 3.529 20 30 DHEDHM O=C(OCC#Cc1ccc(F)cc1)c1cc(Cl)c(Cl)[n-]1 ZINC000771326078 1023423300 /nfs/dbraw/zinc/42/33/00/1023423300.db2.gz POPBZXGBOYSTCW-UHFFFAOYSA-N -1 3 312.127 3.669 20 30 DHEDHM Cc1c2cccc(C)c2oc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000053797265 1023782104 /nfs/dbraw/zinc/78/21/04/1023782104.db2.gz ZBSPYFGCVFEGJV-UHFFFAOYSA-N -1 3 324.262 3.823 20 30 DHEDHM Cc1c2cccc(C)c2oc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000053797265 1023782112 /nfs/dbraw/zinc/78/21/12/1023782112.db2.gz ZBSPYFGCVFEGJV-UHFFFAOYSA-N -1 3 324.262 3.823 20 30 DHEDHM CCc1cccc(NC(=O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000129503743 1023995777 /nfs/dbraw/zinc/99/57/77/1023995777.db2.gz AKZCZJCXTFOXAE-VXLYETTFSA-N -1 3 316.788 3.666 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2nccn2-c2ccccc2)ccc1[O-] ZINC000790217042 1024244311 /nfs/dbraw/zinc/24/43/11/1024244311.db2.gz YVHMOSHAXOXUFZ-MDZDMXLPSA-N -1 3 304.349 3.782 20 30 DHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128732916 1024412347 /nfs/dbraw/zinc/41/23/47/1024412347.db2.gz YWJJYPMKILVADT-MRXNPFEDSA-N -1 3 318.332 3.702 20 30 DHEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791366679 1024483499 /nfs/dbraw/zinc/48/34/99/1024483499.db2.gz LVUGVAKNMHQSSS-PIGZYNQJSA-N -1 3 314.410 3.809 20 30 DHEDHM C[C@]1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCc2ccccc2C1 ZINC000079700586 1024636382 /nfs/dbraw/zinc/63/63/82/1024636382.db2.gz AZXJMJVYUHTILO-AWEZNQCLSA-N -1 3 324.306 3.607 20 30 DHEDHM C[C@]1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCc2ccccc2C1 ZINC000079700586 1024636387 /nfs/dbraw/zinc/63/63/87/1024636387.db2.gz AZXJMJVYUHTILO-AWEZNQCLSA-N -1 3 324.306 3.607 20 30 DHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc([O-])cc(F)c1 ZINC000348875157 1024639640 /nfs/dbraw/zinc/63/96/40/1024639640.db2.gz JVYBQTIYNRCBNQ-UHFFFAOYSA-N -1 3 317.408 3.887 20 30 DHEDHM CC[C@H](C)CON=Cc1cc(Br)c([O-])c(OC)c1 ZINC000793157479 1024915140 /nfs/dbraw/zinc/91/51/40/1024915140.db2.gz BHMOMOYJPBIHFT-VIFPVBQESA-N -1 3 316.195 3.560 20 30 DHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1-c1ccncc1 ZINC000793655710 1025146845 /nfs/dbraw/zinc/14/68/45/1025146845.db2.gz QKWWAFJEKMUGJO-UHFFFAOYSA-N -1 3 320.348 3.924 20 30 DHEDHM C=C[C@H](CCCC)Oc1cc(O)cc([O-])c1Br ZINC001229096294 1025315796 /nfs/dbraw/zinc/31/57/96/1025315796.db2.gz APWSCBINOUAFHW-SNVBAGLBSA-N -1 3 301.180 3.984 20 30 DHEDHM N#CC(=C([O-])c1ccnc2ccncc21)c1nccc2ccccc21 ZINC000355405426 1025710146 /nfs/dbraw/zinc/71/01/46/1025710146.db2.gz XYRWSVZZWVDDRA-INIZCTEOSA-N -1 3 324.343 3.668 20 30 DHEDHM C=CCCCCCCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000811589863 1027036369 /nfs/dbraw/zinc/03/63/69/1027036369.db2.gz JLLRTDDAJIGWJG-UHFFFAOYSA-N -1 3 318.417 3.607 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C)nc1C(F)F ZINC000812241376 1027222849 /nfs/dbraw/zinc/22/28/49/1027222849.db2.gz HHDTVORZIHCZDM-AJQDLKILSA-N -1 3 322.286 3.586 20 30 DHEDHM N#Cc1ccc(F)cc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000562825210 1027613964 /nfs/dbraw/zinc/61/39/64/1027613964.db2.gz WZRJEYPHQCLKAV-UHFFFAOYSA-N -1 3 315.373 3.504 20 30 DHEDHM N#CC1(C[N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000817601364 1029223535 /nfs/dbraw/zinc/22/35/35/1029223535.db2.gz XXZCNOHMLSXGHQ-UHFFFAOYSA-N -1 3 319.138 3.505 20 30 DHEDHM CCc1nc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])cs1 ZINC000866265022 1030187928 /nfs/dbraw/zinc/18/79/28/1030187928.db2.gz WRZQPEMDZXJDQE-WDEREUQCSA-N -1 3 301.415 3.695 20 30 DHEDHM CCc1cnc(CN[C@@H](CC)c2cccc(C#N)c2[O-])s1 ZINC000925165823 1030292154 /nfs/dbraw/zinc/29/21/54/1030292154.db2.gz WWDSZBMWUHOCCT-AWEZNQCLSA-N -1 3 301.415 3.524 20 30 DHEDHM O=C1c2cc(F)cc(F)c2C/C1=C/c1c(F)ccc([O-])c1F ZINC000794947006 1030434087 /nfs/dbraw/zinc/43/40/87/1030434087.db2.gz SCPFQNVQIWDLNF-DAXSKMNVSA-N -1 3 308.230 3.771 20 30 DHEDHM CC[C@H](C)[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000867837020 1030488779 /nfs/dbraw/zinc/48/87/79/1030488779.db2.gz OJCOKSXLHHYPNG-FSPLSTOPSA-N -1 3 315.204 3.667 20 30 DHEDHM CCCCCCCC[C@H](C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825041380 1030707228 /nfs/dbraw/zinc/70/72/28/1030707228.db2.gz ZVSQUBCAROUIJO-ZDUSSCGKSA-N -1 3 319.449 3.720 20 30 DHEDHM C=CCC(C)(C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001144076558 1031228057 /nfs/dbraw/zinc/22/80/57/1031228057.db2.gz AXPRLAXFQRZBNT-UHFFFAOYSA-N -1 3 319.401 3.888 20 30 DHEDHM CCOC1CC2(C[C@H]2/N=C\c2cc(Br)ccc2[O-])C1 ZINC000871598128 1031241289 /nfs/dbraw/zinc/24/12/89/1031241289.db2.gz HBLUUEKOMDETSK-DNLYMSNNSA-N -1 3 324.218 3.531 20 30 DHEDHM CCOC1CC2(C[C@H]2/N=C/c2cc(Br)ccc2[O-])C1 ZINC000871598127 1031241732 /nfs/dbraw/zinc/24/17/32/1031241732.db2.gz HBLUUEKOMDETSK-BOLHKKDZSA-N -1 3 324.218 3.531 20 30 DHEDHM CCOC1CC2(C[C@@H]2/N=C/c2cc(Br)ccc2[O-])C1 ZINC000871598130 1031242635 /nfs/dbraw/zinc/24/26/35/1031242635.db2.gz HBLUUEKOMDETSK-LUOIOSLUSA-N -1 3 324.218 3.531 20 30 DHEDHM CSCc1cc(C([O-])=C(C#N)c2ccccn2)ccc1F ZINC000080255804 1031330265 /nfs/dbraw/zinc/33/02/65/1031330265.db2.gz CMDWNXOYBKQQOM-CYBMUJFWSA-N -1 3 300.358 3.574 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCCCC3)nc1-2 ZINC000845478663 1031611137 /nfs/dbraw/zinc/61/11/37/1031611137.db2.gz ZMNTVHWPHTUPIP-XVJNWHFHSA-N -1 3 322.412 3.969 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000846542645 1031994298 /nfs/dbraw/zinc/99/42/98/1031994298.db2.gz BJLDOAQXPWNRPW-LLVKDONJSA-N -1 3 320.776 3.550 20 30 DHEDHM C[C@@H](CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853955 1033513534 /nfs/dbraw/zinc/51/35/34/1033513534.db2.gz PQZIDPHBDAKWHD-AAEUAGOBSA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@@H](CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)C(F)(F)F ZINC000860853955 1033513538 /nfs/dbraw/zinc/51/35/38/1033513538.db2.gz PQZIDPHBDAKWHD-AAEUAGOBSA-N -1 3 323.314 3.585 20 30 DHEDHM COc1ccc(Nc2ccc([O-])c(Br)c2)c(C#N)c1 ZINC001212783361 1033939846 /nfs/dbraw/zinc/93/98/46/1033939846.db2.gz GPYFAEFWBCJBDQ-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000127689146 1033994955 /nfs/dbraw/zinc/99/49/55/1033994955.db2.gz OFJODXAUECVSJJ-CUUNBHRASA-N -1 3 311.834 3.519 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NC[C@@H]1CCCSC1 ZINC000863125089 1034001752 /nfs/dbraw/zinc/00/17/52/1034001752.db2.gz MVISDOPOIDUYBO-JTQLQIEISA-N -1 3 304.444 3.833 20 30 DHEDHM CO[C@@H]1CCCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863128411 1034002689 /nfs/dbraw/zinc/00/26/89/1034002689.db2.gz NKWDKPQOMICKDY-CYBMUJFWSA-N -1 3 302.403 3.649 20 30 DHEDHM COCCC(N=Nc1nc2ccccc2[n-]c1=S)C(C)C ZINC000863128265 1034004437 /nfs/dbraw/zinc/00/44/37/1034004437.db2.gz IXPZETZHSQPQLI-UHFFFAOYSA-N -1 3 304.419 3.753 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2c(F)cccc2Cl)c1F ZINC000794535490 1034129026 /nfs/dbraw/zinc/12/90/26/1034129026.db2.gz UKYOBAMRYHOWKV-UHFFFAOYSA-N -1 3 300.667 3.909 20 30 DHEDHM N#Cc1cccc(Nc2ccc([O-])c(F)c2)c1Br ZINC001174740769 1034589355 /nfs/dbraw/zinc/58/93/55/1034589355.db2.gz JGUQJKIACXSMFP-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM CC(C)(O)C#Cc1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175269857 1034916214 /nfs/dbraw/zinc/91/62/14/1034916214.db2.gz OOHJSRUABSSHDL-UHFFFAOYSA-N -1 3 303.308 3.536 20 30 DHEDHM N#Cc1cc(F)cc(Nc2c([O-])cccc2Br)c1 ZINC001175684267 1035083508 /nfs/dbraw/zinc/08/35/08/1035083508.db2.gz BJMSGIKRXQSJLJ-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM O=C([C@H]1CC[C@@H](C(F)(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904177983 1035381846 /nfs/dbraw/zinc/38/18/46/1035381846.db2.gz VJWGABOGHGSGFH-WDEREUQCSA-N -1 3 305.271 3.522 20 30 DHEDHM Cc1noc(C)c1[C@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904189879 1035382454 /nfs/dbraw/zinc/38/24/54/1035382454.db2.gz CJPWKJKRBPVBRG-SNVBAGLBSA-N -1 3 322.792 3.856 20 30 DHEDHM CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc([O-])c(F)c1F ZINC001179913615 1035548289 /nfs/dbraw/zinc/54/82/89/1035548289.db2.gz ADUKRSSIPMJWDE-UHFFFAOYSA-N -1 3 316.351 3.953 20 30 DHEDHM COc1ccc(C#CC(=O)Nc2cc3ccccc3cc2[O-])cc1 ZINC001182047921 1036086851 /nfs/dbraw/zinc/08/68/51/1036086851.db2.gz AAAURHZLBQTQIB-UHFFFAOYSA-N -1 3 317.344 3.544 20 30 DHEDHM N#C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CC2CCC1CC2 ZINC000907139435 1036154076 /nfs/dbraw/zinc/15/40/76/1036154076.db2.gz GMQPLTGXTCFODE-PRDDCLIZSA-N -1 3 304.777 3.704 20 30 DHEDHM CC(C)OCc1cc(NC(=O)c2ccsc2C#N)ccc1[O-] ZINC000908254276 1036369190 /nfs/dbraw/zinc/36/91/90/1036369190.db2.gz GEJVCHAJFRQPGA-UHFFFAOYSA-N -1 3 316.382 3.503 20 30 DHEDHM CC(C)c1c(Cl)ncnc1N=NC(C)c1ccc(F)cc1[O-] ZINC000797404216 1036491129 /nfs/dbraw/zinc/49/11/29/1036491129.db2.gz JCNZYJKIPIEBSJ-UHFFFAOYSA-N -1 3 322.771 3.934 20 30 DHEDHM Cc1coc([N-]C(=O)c2ccc(F)c(OC(C)C)c2F)c1C#N ZINC001196885828 1036632154 /nfs/dbraw/zinc/63/21/54/1036632154.db2.gz VBPGYJKUMYZORO-UHFFFAOYSA-N -1 3 320.295 3.777 20 30 DHEDHM CCn1cccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184246457 1036786922 /nfs/dbraw/zinc/78/69/22/1036786922.db2.gz GZGYBLWFPFOYOZ-UHFFFAOYSA-N -1 3 313.184 3.846 20 30 DHEDHM CCCCCCN([O-])C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC001184305735 1036794228 /nfs/dbraw/zinc/79/42/28/1036794228.db2.gz OTWHCBINACYPHR-UHFFFAOYSA-N -1 3 301.390 3.592 20 30 DHEDHM O=C([C@@H]1CSc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001184283800 1036801855 /nfs/dbraw/zinc/80/18/55/1036801855.db2.gz QSAFNIVDEBDMOZ-CYBMUJFWSA-N -1 3 319.813 3.947 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc3ncccc3c2)ccc1[O-] ZINC000916157562 1037696500 /nfs/dbraw/zinc/69/65/00/1037696500.db2.gz JOZKQOPWJCEWGG-YVMONPNESA-N -1 3 305.333 3.845 20 30 DHEDHM N#Cc1cnc2ccc(-c3ccc([O-])cc3C(F)(F)F)cn12 ZINC001205098875 1037700985 /nfs/dbraw/zinc/70/09/85/1037700985.db2.gz TZTSYOSJPVLRPM-UHFFFAOYSA-N -1 3 303.243 3.597 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1c[nH]c(Cl)cc1=O ZINC001187994083 1037772799 /nfs/dbraw/zinc/77/27/99/1037772799.db2.gz CQOQOHMSMKGEKM-UHFFFAOYSA-N -1 3 320.842 3.543 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC001188012859 1037784983 /nfs/dbraw/zinc/78/49/83/1037784983.db2.gz GXGBVVXGCAERKL-UHFFFAOYSA-N -1 3 312.410 3.800 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cccc(Cl)c1F ZINC001188411663 1037901569 /nfs/dbraw/zinc/90/15/69/1037901569.db2.gz XXOGMVNIJWVBJB-UHFFFAOYSA-N -1 3 305.696 3.700 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000916880485 1038018147 /nfs/dbraw/zinc/01/81/47/1038018147.db2.gz SWSZVKWHHSHZTD-MJRGOJFPSA-N -1 3 319.408 3.908 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc([C@@H]3C[C@@H]3C)o2)nc(C)n1 ZINC000916880154 1038020700 /nfs/dbraw/zinc/02/07/00/1038020700.db2.gz MIPCPJKNGDJDCA-UPSIEULVSA-N -1 3 321.380 3.700 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2c(Cl)cccc2Cl)o1 ZINC001202093538 1038031951 /nfs/dbraw/zinc/03/19/51/1038031951.db2.gz SPFYTVOZDRMQFJ-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2ccccc2C(F)(F)F)c1C#N ZINC001202152790 1038068615 /nfs/dbraw/zinc/06/86/15/1038068615.db2.gz YZYNZCVYPDDUNN-UHFFFAOYSA-N -1 3 310.235 3.518 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2cccc(Cl)c2Cl)c1C#N ZINC001189190560 1038082448 /nfs/dbraw/zinc/08/24/48/1038082448.db2.gz VCSBRRTYVQEGRP-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM CCCCCCCCNC(=O)Nc1cc([O-])ccc1C(=O)OC ZINC001191072666 1038430207 /nfs/dbraw/zinc/43/02/07/1038430207.db2.gz RUCILVUIQMFWEC-UHFFFAOYSA-N -1 3 322.405 3.661 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)ccc1[O-] ZINC000057738773 1038719105 /nfs/dbraw/zinc/71/91/05/1038719105.db2.gz BGAFLFPPFCRGNY-OMDQHUAHSA-N -1 3 323.348 3.588 20 30 DHEDHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000591384891 1038830561 /nfs/dbraw/zinc/83/05/61/1038830561.db2.gz YWLYVUQWKKBAPO-NSHDSACASA-N -1 3 311.410 3.926 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000597186010 1040684193 /nfs/dbraw/zinc/68/41/93/1040684193.db2.gz DCDFVKFJYFFEAX-NSHDSACASA-N -1 3 315.398 3.884 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000602342428 1040987709 /nfs/dbraw/zinc/98/77/09/1040987709.db2.gz MJCVUUMJRWIPGU-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM C[C@@]1(C#N)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000598419008 1041257411 /nfs/dbraw/zinc/25/74/11/1041257411.db2.gz ZUHZZWAAJZSORC-IBGZPJMESA-N -1 3 322.364 3.560 20 30 DHEDHM Cc1nc(C(C)C)oc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000297832233 132035979 /nfs/dbraw/zinc/03/59/79/132035979.db2.gz LFCILXPONRHBCP-UHFFFAOYSA-N -1 3 315.398 3.781 20 30 DHEDHM Cc1cc([N-]c2ccc(C#N)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000541329605 435644442 /nfs/dbraw/zinc/64/44/42/435644442.db2.gz MRFWRVMSHYGFAC-NSHDSACASA-N -1 3 311.345 3.686 20 30 DHEDHM C=CC[C@H](NCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000426813926 332157137 /nfs/dbraw/zinc/15/71/37/332157137.db2.gz ASZDAGXFIHHKIM-AWEZNQCLSA-N -1 3 305.761 3.719 20 30 DHEDHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000124609444 332233077 /nfs/dbraw/zinc/23/30/77/332233077.db2.gz YTIUCQZPXXHMGJ-CQSZACIVSA-N -1 3 308.381 3.796 20 30 DHEDHM CC1(C)CCCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1C#N ZINC000408226222 332338314 /nfs/dbraw/zinc/33/83/14/332338314.db2.gz NULGOFSADLZJOV-KRWDZBQOSA-N -1 3 308.381 3.700 20 30 DHEDHM CCOc1cc(-c2noc(C3(C#N)CCCCC3)n2)ccc1[O-] ZINC000278112990 334092844 /nfs/dbraw/zinc/09/28/44/334092844.db2.gz QJBWXJQXWTXMFO-UHFFFAOYSA-N -1 3 313.357 3.566 20 30 DHEDHM CCN(CC)c1ccc(/C=N/c2cccc3c2COC3=O)c([O-])c1 ZINC000289943786 334169747 /nfs/dbraw/zinc/16/97/47/334169747.db2.gz OPWRQRNTSCVHSO-RGVLZGJSSA-N -1 3 324.380 3.659 20 30 DHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cncc(Cl)n2)s1 ZINC000297706702 334243539 /nfs/dbraw/zinc/24/35/39/334243539.db2.gz IKXKGRIOLRDXTL-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000344892601 335283364 /nfs/dbraw/zinc/28/33/64/335283364.db2.gz LHYGWYQRBNAWSF-SECBINFHSA-N -1 3 321.427 3.653 20 30 DHEDHM Cc1csc([N-]C(=O)c2cc(F)c(F)c(F)c2F)c1C#N ZINC000344929317 335285968 /nfs/dbraw/zinc/28/59/68/335285968.db2.gz OSRCJGAVFPQYSQ-UHFFFAOYSA-N -1 3 314.263 3.737 20 30 DHEDHM CSc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1 ZINC000345390001 335322694 /nfs/dbraw/zinc/32/26/94/335322694.db2.gz CMERZYFUAHQITD-SNVBAGLBSA-N -1 3 311.366 3.676 20 30 DHEDHM CSc1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000345390001 335322695 /nfs/dbraw/zinc/32/26/95/335322695.db2.gz CMERZYFUAHQITD-SNVBAGLBSA-N -1 3 311.366 3.676 20 30 DHEDHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000192465509 336034993 /nfs/dbraw/zinc/03/49/93/336034993.db2.gz BBRKDSVQJJQGEA-AWEZNQCLSA-N -1 3 308.381 3.796 20 30 DHEDHM N#CCCCOc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000351836505 336072016 /nfs/dbraw/zinc/07/20/16/336072016.db2.gz RIRZTFFBDQXQNB-UHFFFAOYSA-N -1 3 318.323 3.965 20 30 DHEDHM CC1(C)CCc2ccccc2[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329982012 336102335 /nfs/dbraw/zinc/10/23/35/336102335.db2.gz OIVPWHZTTZWKLP-CYBMUJFWSA-N -1 3 302.399 3.867 20 30 DHEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332599172 336175507 /nfs/dbraw/zinc/17/55/07/336175507.db2.gz LWUZAJFVXXEODD-DJJJIMSYSA-N -1 3 308.381 3.748 20 30 DHEDHM N#Cc1c(F)ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1Cl ZINC000352021813 336189594 /nfs/dbraw/zinc/18/95/94/336189594.db2.gz REVFLNVFGPKXDE-HYXAFXHYSA-N -1 3 315.735 3.894 20 30 DHEDHM CC(C)OCc1cc(NC(=O)c2ccc(C#N)s2)ccc1[O-] ZINC000356864203 336563817 /nfs/dbraw/zinc/56/38/17/336563817.db2.gz TWUMYCIWVUOPFX-UHFFFAOYSA-N -1 3 316.382 3.503 20 30 DHEDHM Cc1c(Br)scc1C([O-])=C(C#N)c1ccccn1 ZINC000187082536 337263059 /nfs/dbraw/zinc/26/30/59/337263059.db2.gz HTXKQTWJOVCRPT-VIFPVBQESA-N -1 3 321.199 3.704 20 30 DHEDHM C=C(C)[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)OCC ZINC000274331678 337659734 /nfs/dbraw/zinc/65/97/34/337659734.db2.gz APYAHCOZBAZLCG-CJNGLKHVSA-N -1 3 303.402 3.604 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1C ZINC000430596212 338109579 /nfs/dbraw/zinc/10/95/79/338109579.db2.gz JBAUODLQSJOUGM-NSHDSACASA-N -1 3 301.415 3.578 20 30 DHEDHM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1ccccn1 ZINC000431151415 338124242 /nfs/dbraw/zinc/12/42/42/338124242.db2.gz OAJZVMJXHJIDCZ-CYBMUJFWSA-N -1 3 320.270 3.513 20 30 DHEDHM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1ccccn1 ZINC000431151416 338124246 /nfs/dbraw/zinc/12/42/46/338124246.db2.gz OAJZVMJXHJIDCZ-ZDUSSCGKSA-N -1 3 320.270 3.513 20 30 DHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C)c1 ZINC000431186688 338125305 /nfs/dbraw/zinc/12/53/05/338125305.db2.gz IYQHQRCFGNEKPA-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c([O-])c1 ZINC000436722092 338284102 /nfs/dbraw/zinc/28/41/02/338284102.db2.gz NCDNKTHEMHCEJQ-ZDUSSCGKSA-N -1 3 308.381 3.878 20 30 DHEDHM COc1cccc(C(=O)N[C@H](CCCC#N)c2ccccc2)c1[O-] ZINC000436930559 338293963 /nfs/dbraw/zinc/29/39/63/338293963.db2.gz YBENNRPDEOWULN-MRXNPFEDSA-N -1 3 324.380 3.566 20 30 DHEDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1sccc1C#N ZINC000439217618 338364093 /nfs/dbraw/zinc/36/40/93/338364093.db2.gz RVRMXUAHFFCAAJ-UHFFFAOYSA-N -1 3 321.745 3.742 20 30 DHEDHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459306066 339020484 /nfs/dbraw/zinc/02/04/84/339020484.db2.gz PTOLJDZCCIBRLA-ZDUSSCGKSA-N -1 3 322.412 3.514 20 30 DHEDHM O=C(CCC(F)(F)F)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000463693038 339123975 /nfs/dbraw/zinc/12/39/75/339123975.db2.gz KLFMGHYLWYFVBJ-SNVBAGLBSA-N -1 3 317.204 3.888 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCc1c(Cl)cccc1Cl ZINC000470828163 339328810 /nfs/dbraw/zinc/32/88/10/339328810.db2.gz ZDEWBEMKSIQSGA-UHFFFAOYSA-N -1 3 316.213 3.769 20 30 DHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2sccc2C#N)c1 ZINC000175811442 340420448 /nfs/dbraw/zinc/42/04/48/340420448.db2.gz LLRCJIOZOKYHCX-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CC)c1[O-] ZINC000539846596 340905744 /nfs/dbraw/zinc/90/57/44/340905744.db2.gz BSGSZFMLBZIODW-UHFFFAOYSA-N -1 3 322.408 3.879 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2ncoc2C2CC2)c1C#N ZINC000572963274 341711490 /nfs/dbraw/zinc/71/14/90/341711490.db2.gz BTVYPIBDRZWXBT-UHFFFAOYSA-N -1 3 301.371 3.608 20 30 DHEDHM Cc1sc([N-]C(=O)c2cc3nc(C)ccc3o2)c(C#N)c1C ZINC000337059827 526883625 /nfs/dbraw/zinc/88/36/25/526883625.db2.gz WUXRSSGFSJMDDT-UHFFFAOYSA-N -1 3 311.366 3.939 20 30 DHEDHM C=CCSCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735442517 598960219 /nfs/dbraw/zinc/96/02/19/598960219.db2.gz FBDLNGYYXFLQQX-UHFFFAOYSA-N -1 3 308.410 3.953 20 30 DHEDHM C=CCSCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735442517 598960221 /nfs/dbraw/zinc/96/02/21/598960221.db2.gz FBDLNGYYXFLQQX-UHFFFAOYSA-N -1 3 308.410 3.953 20 30 DHEDHM N#Cc1ccc([C@@H](N[C@H]2CCSc3ccccc32)C(=O)[O-])cc1 ZINC000739106414 600591645 /nfs/dbraw/zinc/59/16/45/600591645.db2.gz MDWMYIYRPKIGPG-DOTOQJQBSA-N -1 3 324.405 3.511 20 30 DHEDHM CCN(Cc1ccc(C(=O)[O-])s1)[C@H](C)c1ccc(C#N)cc1 ZINC000829719169 601942960 /nfs/dbraw/zinc/94/29/60/601942960.db2.gz ZYORJEZQCUNXPU-GFCCVEGCSA-N -1 3 314.410 3.901 20 30 DHEDHM C[C@H]1CC(=Cc2ccc(-c3nnn[n-]3)s2)C(=O)c2ccccc21 ZINC000824858258 607681414 /nfs/dbraw/zinc/68/14/14/607681414.db2.gz IOUBBKLXFPOKBD-RGAIUGGKSA-N -1 3 322.393 3.702 20 30 DHEDHM C#CC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823839137 607936477 /nfs/dbraw/zinc/93/64/77/607936477.db2.gz ZYPRAHDEURPKPL-INIZCTEOSA-N -1 3 323.787 3.697 20 30 DHEDHM C#CC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823839137 607936478 /nfs/dbraw/zinc/93/64/78/607936478.db2.gz ZYPRAHDEURPKPL-INIZCTEOSA-N -1 3 323.787 3.697 20 30 DHEDHM C=CCCC(CC)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823893901 609470320 /nfs/dbraw/zinc/47/03/20/609470320.db2.gz ARVYODSZJSIPEJ-UHFFFAOYSA-N -1 3 304.785 3.664 20 30 DHEDHM C=CCCC(CC)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823893901 609470321 /nfs/dbraw/zinc/47/03/21/609470321.db2.gz ARVYODSZJSIPEJ-UHFFFAOYSA-N -1 3 304.785 3.664 20 30 DHEDHM C=CCCC1(CNc2cc(-c3nnn[n-]3)cc(C)n2)CCCC1 ZINC001573334103 947447498 /nfs/dbraw/zinc/44/74/98/947447498.db2.gz JRCPQVYRFXSZGU-UHFFFAOYSA-N -1 3 312.421 3.509 20 30 DHEDHM C=CCCC1(CNc2cc(-c3nn[n-]n3)cc(C)n2)CCCC1 ZINC001573334103 947447504 /nfs/dbraw/zinc/44/75/04/947447504.db2.gz JRCPQVYRFXSZGU-UHFFFAOYSA-N -1 3 312.421 3.509 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)ccc1[O-] ZINC000728231132 1013285497 /nfs/dbraw/zinc/28/54/97/1013285497.db2.gz IEWVHHLFZIAMDX-VQHVLOKHSA-N -1 3 318.376 3.842 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000659802138 975891421 /nfs/dbraw/zinc/89/14/21/975891421.db2.gz QNRDMGJBQWGGAV-JRPNMDOOSA-N -1 3 309.768 3.788 20 30 DHEDHM CC(C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000255293641 1014724774 /nfs/dbraw/zinc/72/47/74/1014724774.db2.gz AMHKVPDZYYTUJU-UHFFFAOYSA-N -1 3 321.760 3.995 20 30 DHEDHM C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588744537 984043211 /nfs/dbraw/zinc/04/32/11/984043211.db2.gz OGPXRMZMTNTILM-OCCSQVGLSA-N -1 3 316.426 3.679 20 30 DHEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OCC(F)F ZINC000255447862 1016147154 /nfs/dbraw/zinc/14/71/54/1016147154.db2.gz VTIHGFPGOMOELU-UHFFFAOYSA-N -1 3 323.295 3.506 20 30 DHEDHM CCCCCCCCN1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934274425 1016349042 /nfs/dbraw/zinc/34/90/42/1016349042.db2.gz TWUBXKIROFABFF-CQSZACIVSA-N -1 3 307.438 3.688 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2cnn(CC)c2)cc(Cl)c1[O-] ZINC000254976308 1012610324 /nfs/dbraw/zinc/61/03/24/1012610324.db2.gz XCZHDGIGRUTANJ-WAYWQWQTSA-N -1 3 320.776 3.557 20 30 DHEDHM C=CC[C@H]1N(C(=O)NCc2ccc([O-])c(F)c2)CCCC1(C)C ZINC000445133036 1017773288 /nfs/dbraw/zinc/77/32/88/1017773288.db2.gz HRBRYCZAPVCSRJ-MRXNPFEDSA-N -1 3 320.408 3.808 20 30 DHEDHM C=CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000114756463 1018201884 /nfs/dbraw/zinc/20/18/84/1018201884.db2.gz JYCXLTGQMDIKTA-UHFFFAOYSA-N -1 3 304.396 3.664 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1cc(-c2ccccc2)ns1 ZINC000447041920 1018318640 /nfs/dbraw/zinc/31/86/40/1018318640.db2.gz PIDJEZOJXFJDGL-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM CCC(N=Nc1cc(Cl)nc(C)n1)c1ccc([O-])c(F)c1 ZINC000764690787 1018348074 /nfs/dbraw/zinc/34/80/74/1018348074.db2.gz XLDIYAIMVGKNRP-UHFFFAOYSA-N -1 3 308.744 3.509 20 30 DHEDHM N#Cc1ccc(Br)c(Nc2cccc([O-])c2F)c1 ZINC001212553183 1018448520 /nfs/dbraw/zinc/44/85/20/1018448520.db2.gz GGTXXKPDPOOSPX-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1ncc(Nc2cc(F)cc(F)c2[O-])cc1C(F)(F)F ZINC001212481755 1019427821 /nfs/dbraw/zinc/42/78/21/1019427821.db2.gz HWJDXAHGQJJKID-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H]2CCC(C)C)c1[O-] ZINC000727781597 1019779118 /nfs/dbraw/zinc/77/91/18/1019779118.db2.gz RAKBMRWKKWCWPC-UOOYZNIZSA-N -1 3 304.434 3.612 20 30 DHEDHM CC(C)C(=N[N-]S(=O)(=O)Cc1ccccc1)C1CCCCC1 ZINC000733901130 1020111583 /nfs/dbraw/zinc/11/15/83/1020111583.db2.gz DJQXSBNXBOQCAE-UHFFFAOYSA-N -1 3 322.474 3.698 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc(C2CC2)cs1 ZINC000647371905 1020218889 /nfs/dbraw/zinc/21/88/89/1020218889.db2.gz AEVPLHZQMJYSDB-HNNXBMFYSA-N -1 3 308.406 3.999 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1OCCc2ccccc21 ZINC000733081082 1020324619 /nfs/dbraw/zinc/32/46/19/1020324619.db2.gz MQTXCHIOTKBNBB-KCBNLNMNSA-N -1 3 301.773 3.779 20 30 DHEDHM CC(=NNc1cnnc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000733750042 1020437895 /nfs/dbraw/zinc/43/78/95/1020437895.db2.gz KKTIGXGDTVEEJG-UHFFFAOYSA-N -1 3 312.760 3.825 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2nccn2Cc2ccccc2)ccc1[O-] ZINC000734095156 1020554593 /nfs/dbraw/zinc/55/45/93/1020554593.db2.gz LPCZGVDDSQQHHJ-KTKRTIGZSA-N -1 3 318.376 3.842 20 30 DHEDHM [O-]c1ccc(C=NNc2cccc(C(F)(F)F)n2)cc1Cl ZINC000739421250 1020908192 /nfs/dbraw/zinc/90/81/92/1020908192.db2.gz IAMWIVJJCNKVGL-UHFFFAOYSA-N -1 3 315.682 3.905 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2cncc(F)c2)cc(Cl)c1[O-] ZINC000255899740 1021084727 /nfs/dbraw/zinc/08/47/27/1021084727.db2.gz XMGWIUASFVLBTH-ARJAWSKDSA-N -1 3 321.735 3.875 20 30 DHEDHM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000089966729 1021199970 /nfs/dbraw/zinc/19/99/70/1021199970.db2.gz AQUAGEUWQJSNAL-OCCSQVGLSA-N -1 3 308.385 3.617 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(Cl)ccc2OC)ccc1[O-] ZINC000917143253 1021201419 /nfs/dbraw/zinc/20/14/19/1021201419.db2.gz WPXGTNYUYPTTBE-XQRVVYSFSA-N -1 3 318.756 3.959 20 30 DHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccc(F)cc2)c1C#N ZINC001202345852 1021210394 /nfs/dbraw/zinc/21/03/94/1021210394.db2.gz UCQIFRUMDCLDQZ-UHFFFAOYSA-N -1 3 302.309 3.627 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2cncs2)cc(Cl)c1[O-] ZINC000776433776 1021373890 /nfs/dbraw/zinc/37/38/90/1021373890.db2.gz JOEAFBPCVMZTEU-ARJAWSKDSA-N -1 3 309.774 3.797 20 30 DHEDHM C=CCOc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000556863115 1021900306 /nfs/dbraw/zinc/90/03/06/1021900306.db2.gz RZXINKABXJDXAY-UHFFFAOYSA-N -1 3 305.324 3.525 20 30 DHEDHM CC[C@H](C)Oc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920178842 1022069719 /nfs/dbraw/zinc/06/97/19/1022069719.db2.gz XVVAMGZCKYTNHP-NSHDSACASA-N -1 3 301.342 3.731 20 30 DHEDHM COc1cc(/C=C/C(=O)c2ccco2)cc(Br)c1[O-] ZINC000008469676 1022172727 /nfs/dbraw/zinc/17/27/27/1022172727.db2.gz SOHWGSPABHUONM-SNAWJCMRSA-N -1 3 323.142 3.652 20 30 DHEDHM [O-]c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000921252833 1022233939 /nfs/dbraw/zinc/23/39/39/1022233939.db2.gz HGHAVIZFQRQWBM-UHFFFAOYSA-N -1 3 315.682 3.905 20 30 DHEDHM CCCCCCCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893213152 1022250871 /nfs/dbraw/zinc/25/08/71/1022250871.db2.gz QOSIIQJOBXQOLO-UHFFFAOYSA-N -1 3 305.422 3.602 20 30 DHEDHM CC(=O)Nc1ccc(CC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000103348632 1022500817 /nfs/dbraw/zinc/50/08/17/1022500817.db2.gz LOCAPCGNAVCERI-YBFXNURJSA-N -1 3 316.788 3.666 20 30 DHEDHM CCCOc1c(F)cc(F)c([N-]c2oc(C)nc2C#N)c1F ZINC001212647961 1033070294 /nfs/dbraw/zinc/07/02/94/1033070294.db2.gz DQQLGQXTRUHASM-UHFFFAOYSA-N -1 3 311.263 3.804 20 30 DHEDHM C=CCCC1(CNC(=O)c2c[n-]c3ccccc3c2=O)CCCC1 ZINC000617416621 1022941836 /nfs/dbraw/zinc/94/18/36/1022941836.db2.gz YTWVWYYTCUTWLU-UHFFFAOYSA-N -1 3 324.424 3.785 20 30 DHEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1sccc1[O-] ZINC000769776512 1023204529 /nfs/dbraw/zinc/20/45/29/1023204529.db2.gz IXIJIZVXNVAJJF-UHFFFAOYSA-N -1 3 302.186 3.992 20 30 DHEDHM CC(N=Nc1ncccc1C(F)(F)F)c1sccc1[O-] ZINC000769782317 1023212556 /nfs/dbraw/zinc/21/25/56/1023212556.db2.gz YFHRCBRUBUTWLQ-UHFFFAOYSA-N -1 3 301.293 3.704 20 30 DHEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788275661 1023870062 /nfs/dbraw/zinc/87/00/62/1023870062.db2.gz IOKVLXXISXZBRJ-UHFFFAOYSA-N -1 3 322.389 3.751 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1COc2cc(F)cc(F)c21 ZINC000783685571 1024267372 /nfs/dbraw/zinc/26/73/72/1024267372.db2.gz PCNAPSDYMYJLGV-VNHJGTEPSA-N -1 3 309.699 3.876 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cncc3ccccc23)ccc1[O-] ZINC000772798179 1024675568 /nfs/dbraw/zinc/67/55/68/1024675568.db2.gz SWNNUMSDCYCLFG-FPLPWBNLSA-N -1 3 305.333 3.845 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCN(c2ccccc2F)C1 ZINC000793668274 1025141851 /nfs/dbraw/zinc/14/18/51/1025141851.db2.gz MPACYSUZXITMND-FHOUHHFSSA-N -1 3 318.779 3.883 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cccc3)cc2)n1 ZINC000041518913 1025408862 /nfs/dbraw/zinc/40/88/62/1025408862.db2.gz HXVSZOAHTMEFSJ-HNNXBMFYSA-N -1 3 307.378 3.732 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCCSC1 ZINC000806551951 1025916891 /nfs/dbraw/zinc/91/68/91/1025916891.db2.gz ORJAEPCSOQYBFP-XBLUXWHVSA-N -1 3 314.248 3.717 20 30 DHEDHM C[C@H]([N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000807897714 1026137395 /nfs/dbraw/zinc/13/73/95/1026137395.db2.gz VIOYLZWSXDGNLV-IMTBSYHQSA-N -1 3 317.204 3.783 20 30 DHEDHM [O-]c1cc(C=Nn2cnc3ccccc32)cc(C(F)(F)F)c1 ZINC000811636133 1027046105 /nfs/dbraw/zinc/04/61/05/1027046105.db2.gz AKBWTKPCBLTALU-UHFFFAOYSA-N -1 3 305.259 3.643 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C)nc1C(F)F ZINC000812241378 1027222365 /nfs/dbraw/zinc/22/23/65/1027222365.db2.gz HHDTVORZIHCZDM-VYVBZAQUSA-N -1 3 322.286 3.586 20 30 DHEDHM O=C1c2ccccc2CCN1N=Cc1ccc2ccccc2c1[O-] ZINC000814892903 1028264824 /nfs/dbraw/zinc/26/48/24/1028264824.db2.gz UZOTVPBOORMSMX-UHFFFAOYSA-N -1 3 316.360 3.578 20 30 DHEDHM C=CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000628062593 1028875725 /nfs/dbraw/zinc/87/57/25/1028875725.db2.gz LGVSOJUGASSWMH-LLVKDONJSA-N -1 3 324.218 3.583 20 30 DHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cocc2C)cc1 ZINC000528921352 1028931792 /nfs/dbraw/zinc/93/17/92/1028931792.db2.gz UGFIGAPHCXZPRA-INIZCTEOSA-N -1 3 324.380 3.892 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000410978399 1028991099 /nfs/dbraw/zinc/99/10/99/1028991099.db2.gz LEJGUZGYJMEPDK-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM CC[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000817706637 1029229731 /nfs/dbraw/zinc/22/97/31/1029229731.db2.gz DLOGQIIBFBPQHE-PQQGUCMVSA-N -1 3 312.207 3.531 20 30 DHEDHM CCOc1cc(C=NN[C@@H](C)c2ccncc2)cc(Cl)c1[O-] ZINC000819815929 1029614809 /nfs/dbraw/zinc/61/48/09/1029614809.db2.gz VFFBPQRBHFHQTM-NSHDSACASA-N -1 3 319.792 3.524 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCCCS1 ZINC000783681362 1030113461 /nfs/dbraw/zinc/11/34/61/1030113461.db2.gz DIDWEOJALNLJRO-AAWHYMEISA-N -1 3 314.248 3.859 20 30 DHEDHM COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c(OC)c1 ZINC000794925654 1030299634 /nfs/dbraw/zinc/29/96/34/1030299634.db2.gz BWUSKYQJLPLEMS-FNORWQNLSA-N -1 3 320.291 3.584 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccnn2-c2ccc(F)cc2)ccc1[O-] ZINC000794934228 1030386409 /nfs/dbraw/zinc/38/64/09/1030386409.db2.gz HDRLPYRZYXVGPN-CLFYSBASSA-N -1 3 322.339 3.922 20 30 DHEDHM CC(C)n1nccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000794939982 1030402551 /nfs/dbraw/zinc/40/25/51/1030402551.db2.gz VGSLWDOMZTZNAK-BKLZJWBFSA-N -1 3 300.333 3.692 20 30 DHEDHM C=CCN(Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000824618149 1030591582 /nfs/dbraw/zinc/59/15/82/1030591582.db2.gz PPSNVFJQAICCJM-UHFFFAOYSA-N -1 3 324.140 3.705 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080449270 1031364390 /nfs/dbraw/zinc/36/43/90/1031364390.db2.gz GHGPNNLFYMGYSF-ZDUSSCGKSA-N -1 3 300.383 3.765 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)ccc1[O-] ZINC000777916317 1031851189 /nfs/dbraw/zinc/85/11/89/1031851189.db2.gz HYMAJKOEICBBIY-CLTKARDFSA-N -1 3 301.273 3.644 20 30 DHEDHM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361523962 1031969002 /nfs/dbraw/zinc/96/90/02/1031969002.db2.gz HWJIHYTVEDIURB-SFHVURJKSA-N -1 3 311.344 3.905 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000846543584 1031994446 /nfs/dbraw/zinc/99/44/46/1031994446.db2.gz LPFGMIUOBDJGMH-NSHDSACASA-N -1 3 320.776 3.550 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000846545844 1031997911 /nfs/dbraw/zinc/99/79/11/1031997911.db2.gz IZWZOZOVMIEISU-MRVPVSSYSA-N -1 3 308.230 4.000 20 30 DHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2[nH]ccc2s1 ZINC000361657319 1032042454 /nfs/dbraw/zinc/04/24/54/1032042454.db2.gz VMTWJKFIIPDGMA-JTQLQIEISA-N -1 3 320.377 3.606 20 30 DHEDHM COc1ccc(Nc2cc([O-])ccc2Br)c(C#N)c1 ZINC001212782594 1033765624 /nfs/dbraw/zinc/76/56/24/1033765624.db2.gz GVNJVZNIFIXUPD-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM COCC[C@H]1CCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863124918 1034000799 /nfs/dbraw/zinc/00/07/99/1034000799.db2.gz HTKSAPQNCBVCLX-LLVKDONJSA-N -1 3 316.430 3.897 20 30 DHEDHM C=C(Cl)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000864347420 1034324060 /nfs/dbraw/zinc/32/40/60/1034324060.db2.gz QCCHXOWZYVOLAA-DTOZUZIGSA-N -1 3 316.184 3.539 20 30 DHEDHM C=CCC[C@H](O)CNc1cc(Br)cc(Cl)c1[O-] ZINC001252611202 1034487422 /nfs/dbraw/zinc/48/74/22/1034487422.db2.gz XGNPNSKRTCYZOS-VIFPVBQESA-N -1 3 320.614 3.547 20 30 DHEDHM Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C(C)C ZINC000899353349 1034591120 /nfs/dbraw/zinc/59/11/20/1034591120.db2.gz XFPFLOZFMCDBLP-ZDUSSCGKSA-N -1 3 309.291 3.572 20 30 DHEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1c(F)cc([O-])cc1F ZINC001175098905 1034778721 /nfs/dbraw/zinc/77/87/21/1034778721.db2.gz TTWMVHYASZNWCC-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM CN1CCc2c(C#N)c(Nc3cc([O-])cc(Cl)c3)sc2C1 ZINC001176619906 1035302297 /nfs/dbraw/zinc/30/22/97/1035302297.db2.gz BVMGQPGJZBPDCK-UHFFFAOYSA-N -1 3 319.817 3.710 20 30 DHEDHM O=C([C@@H]1CCCOCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181330 1035378410 /nfs/dbraw/zinc/37/84/10/1035378410.db2.gz UAJMAITUVCGPII-LLVKDONJSA-N -1 3 318.200 3.528 20 30 DHEDHM C[C@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170907 1035381213 /nfs/dbraw/zinc/38/12/13/1035381213.db2.gz GVSIHAWTFLZFMT-HIFRSBDPSA-N -1 3 311.381 3.563 20 30 DHEDHM Cc1cc(C2(C(=O)N([O-])Cc3cccc4ccccc43)CC2)on1 ZINC000904173379 1035381663 /nfs/dbraw/zinc/38/16/63/1035381663.db2.gz PZLJCAOMMKFKMT-UHFFFAOYSA-N -1 3 322.364 3.586 20 30 DHEDHM CC(=O)CCCCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904189890 1035382419 /nfs/dbraw/zinc/38/24/19/1035382419.db2.gz CTEITSONXKJFKD-UHFFFAOYSA-N -1 3 311.809 3.987 20 30 DHEDHM O=C(C1CCC(F)(F)CC1)N([O-])Cc1ccccc1Cl ZINC000904190010 1035382950 /nfs/dbraw/zinc/38/29/50/1035382950.db2.gz FSCWGLXJYFMXHD-UHFFFAOYSA-N -1 3 303.736 3.883 20 30 DHEDHM CC(=O)[C@@H](C)CCCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904189844 1035383045 /nfs/dbraw/zinc/38/30/45/1035383045.db2.gz BSNSHBHBEDCSCU-LBPRGKRZSA-N -1 3 311.809 3.843 20 30 DHEDHM CC(=O)[C@@H]1C[C@H](CC(=O)N([O-])Cc2ccccc2Cl)C1(C)C ZINC000904190815 1035383268 /nfs/dbraw/zinc/38/32/68/1035383268.db2.gz QUTNCRGTQLKEKX-KGLIPLIRSA-N -1 3 323.820 3.699 20 30 DHEDHM CO[C@@H]1CCC[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193814 1035383767 /nfs/dbraw/zinc/38/37/67/1035383767.db2.gz WBBQNIZWSACYBN-TZMCWYRMSA-N -1 3 311.809 3.653 20 30 DHEDHM CCC[C@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191379 1035384011 /nfs/dbraw/zinc/38/40/11/1035384011.db2.gz WDFIVIKPQAAHIQ-JSGCOSHPSA-N -1 3 311.809 3.653 20 30 DHEDHM C=C(C)C[C@@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485092593 1035472958 /nfs/dbraw/zinc/47/29/58/1035472958.db2.gz LPMBRVTZCNJGOM-LLVKDONJSA-N -1 3 310.357 3.759 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905003419 1035474236 /nfs/dbraw/zinc/47/42/36/1035474236.db2.gz WTZNKPLTVCSLEG-XGUICVBJSA-N -1 3 307.699 3.574 20 30 DHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC001193150434 1035576810 /nfs/dbraw/zinc/57/68/10/1035576810.db2.gz XYSYFGSAHFQIAH-LBPRGKRZSA-N -1 3 322.474 3.935 20 30 DHEDHM CC(C)Oc1ccc(NCc2cc(F)c(F)cc2[O-])cc1C#N ZINC001180795666 1035757937 /nfs/dbraw/zinc/75/79/37/1035757937.db2.gz YMRPOUONFXAIAU-UHFFFAOYSA-N -1 3 318.323 3.941 20 30 DHEDHM CCCCCCCC[C@@H](C)C(=O)Nc1nc[n-]c1C(=O)OC ZINC001272350022 1036201646 /nfs/dbraw/zinc/20/16/46/1036201646.db2.gz KAGNSEDISGYZCU-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCCC[C@@H](C)C(=O)Nc1[n-]cnc1C(=O)OC ZINC001272350022 1036201666 /nfs/dbraw/zinc/20/16/66/1036201666.db2.gz KAGNSEDISGYZCU-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM C[C@H](C/N=C/c1cc(Cl)ccc1[O-])N1CCc2ccccc21 ZINC000914701951 1036253208 /nfs/dbraw/zinc/25/32/08/1036253208.db2.gz SNTFVQITRQVSLB-HMHKGCENSA-N -1 3 314.816 3.916 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762436741 1036757869 /nfs/dbraw/zinc/75/78/69/1036757869.db2.gz QEWBVVXZWMCCBY-LQXMEZSQSA-N -1 3 313.875 3.844 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001184305769 1036794518 /nfs/dbraw/zinc/79/45/18/1036794518.db2.gz QGBLQOVMNAXTBS-HOCLYGCPSA-N -1 3 321.417 3.605 20 30 DHEDHM CCCCN([O-])C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001184314634 1036795487 /nfs/dbraw/zinc/79/54/87/1036795487.db2.gz CXRDWBJKKMAFGS-NSHDSACASA-N -1 3 303.324 3.902 20 30 DHEDHM CCCCN([O-])C(=O)c1sc2cccc(F)c2c1COC ZINC001184314637 1036796245 /nfs/dbraw/zinc/79/62/45/1036796245.db2.gz DBESEMRHAPOMHI-UHFFFAOYSA-N -1 3 311.378 3.818 20 30 DHEDHM Cc1cc(Cl)nc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184293082 1036807104 /nfs/dbraw/zinc/80/71/04/1036807104.db2.gz DNQQKLZIOUYGOY-UHFFFAOYSA-N -1 3 311.168 3.728 20 30 DHEDHM O=C(c1csc(C2CC2)n1)N([O-])CCCCc1ccccc1 ZINC001184293259 1036807847 /nfs/dbraw/zinc/80/78/47/1036807847.db2.gz LVNKPVBHLPYEOS-UHFFFAOYSA-N -1 3 316.426 3.875 20 30 DHEDHM CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000762602059 1036868134 /nfs/dbraw/zinc/86/81/34/1036868134.db2.gz FFVAMIZMCISGBZ-UHFFFAOYSA-N -1 3 312.335 3.896 20 30 DHEDHM N#Cc1cccc(C(F)(F)F)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC001185215017 1037069848 /nfs/dbraw/zinc/06/98/48/1037069848.db2.gz JKIYUSWHYYPUSV-UHFFFAOYSA-N -1 3 321.258 3.695 20 30 DHEDHM C=CCSc1ncccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001199741118 1037325037 /nfs/dbraw/zinc/32/50/37/1037325037.db2.gz ZFYSIVQLSNASJB-UHFFFAOYSA-N -1 3 320.801 3.971 20 30 DHEDHM CCCCCCCCS(=O)(=O)Nc1cc(Cl)ncc1[O-] ZINC001187994362 1037774393 /nfs/dbraw/zinc/77/43/93/1037774393.db2.gz JLLREMBIKSAKHU-UHFFFAOYSA-N -1 3 320.842 3.543 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cc(Cl)ncc1O ZINC001187994362 1037774405 /nfs/dbraw/zinc/77/44/05/1037774405.db2.gz JLLREMBIKSAKHU-UHFFFAOYSA-N -1 3 320.842 3.543 20 30 DHEDHM COc1ccc(C#N)cc1Nc1cccc([O-])c1Br ZINC001201592324 1037798323 /nfs/dbraw/zinc/79/83/23/1037798323.db2.gz ZLDAYYSGHZAFBV-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnn(C)c1C ZINC001201832052 1037914514 /nfs/dbraw/zinc/91/45/14/1037914514.db2.gz ZWGILYNHDSRIQX-UHFFFAOYSA-N -1 3 315.483 3.611 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc([C@@H]3C[C@H]3C)o2)nc(C)n1 ZINC000916880155 1038016305 /nfs/dbraw/zinc/01/63/05/1038016305.db2.gz MIPCPJKNGDJDCA-VFHZUOIBSA-N -1 3 321.380 3.700 20 30 DHEDHM CCCCOc1ccc(NC(=O)[N-]c2oc(C)nc2C#N)cc1 ZINC001189288131 1038108425 /nfs/dbraw/zinc/10/84/25/1038108425.db2.gz GMLSDJXATWSZMR-UHFFFAOYSA-N -1 3 314.345 3.678 20 30 DHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001189740046 1038200049 /nfs/dbraw/zinc/20/00/49/1038200049.db2.gz CUTKATDNVNWBRD-SNVBAGLBSA-N -1 3 322.257 3.935 20 30 DHEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cocn3)sc2C1 ZINC000591005195 1038742518 /nfs/dbraw/zinc/74/25/18/1038742518.db2.gz CSWITCGSGOJGNH-JTQLQIEISA-N -1 3 315.398 3.621 20 30 DHEDHM C=CCC1(C(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC000574218822 1039421636 /nfs/dbraw/zinc/42/16/36/1039421636.db2.gz ORDPBZFJCITPNJ-UHFFFAOYSA-N -1 3 310.191 3.840 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@@H](C)CC2 ZINC000602344847 1040974467 /nfs/dbraw/zinc/97/44/67/1040974467.db2.gz WZHSFQJBZDFCSW-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(-c2cccc(F)c2C)o1 ZINC000417625830 335015706 /nfs/dbraw/zinc/01/57/06/335015706.db2.gz MZDRZKJKLFNFKC-CYBMUJFWSA-N -1 3 317.360 3.903 20 30 DHEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273502039 130129152 /nfs/dbraw/zinc/12/91/52/130129152.db2.gz QGWZJBCAQKHWBO-GFCCVEGCSA-N -1 3 323.352 3.512 20 30 DHEDHM CCc1onc(C)c1C(=O)[N-]c1sc(C)c(CC)c1C#N ZINC000340712294 132171827 /nfs/dbraw/zinc/17/18/27/132171827.db2.gz LYMYXYMSKIFUJP-UHFFFAOYSA-N -1 3 303.387 3.602 20 30 DHEDHM C=CCCO[C@@H](C)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000291393428 335081934 /nfs/dbraw/zinc/08/19/34/335081934.db2.gz CVKWMCWHEJJBKV-ZDUSSCGKSA-N -1 3 306.406 3.950 20 30 DHEDHM CCCOc1ccc(/C=N/C[C@@](C)(O)c2ccsc2)c([O-])c1 ZINC000119100997 332363759 /nfs/dbraw/zinc/36/37/59/332363759.db2.gz WNZTZADLTBKGIV-HJSBDDGSSA-N -1 3 319.426 3.569 20 30 DHEDHM N#CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000343332223 335109786 /nfs/dbraw/zinc/10/97/86/335109786.db2.gz DGXGPUBNIDDFPX-MRXNPFEDSA-N -1 3 314.772 3.820 20 30 DHEDHM C=CCCCS(=O)(=O)[N-]c1c(F)cccc1SCC ZINC000427769004 332512128 /nfs/dbraw/zinc/51/21/28/332512128.db2.gz UNDLRIWCHJHRFT-UHFFFAOYSA-N -1 3 303.424 3.646 20 30 DHEDHM C=CC[C@@H]1N(C(=O)c2ccc(OC)cc2[O-])CCCC1(C)C ZINC000443862435 332644594 /nfs/dbraw/zinc/64/45/94/332644594.db2.gz UYMQXLIUKHERPN-INIZCTEOSA-N -1 3 303.402 3.608 20 30 DHEDHM N#CCCSc1ccccc1[N-]C(=O)c1sccc1C#N ZINC000108201423 333173857 /nfs/dbraw/zinc/17/38/57/333173857.db2.gz JKLLSXJRFYMFLN-UHFFFAOYSA-N -1 3 313.407 3.878 20 30 DHEDHM C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)c2c([O-])cccc21 ZINC000274360777 334060460 /nfs/dbraw/zinc/06/04/60/334060460.db2.gz LDBQTKHHBFCJBO-CYBMUJFWSA-N -1 3 306.365 3.612 20 30 DHEDHM CCCc1cc(C(=O)[N-]c2ccccc2SCCC#N)no1 ZINC000294641605 334211856 /nfs/dbraw/zinc/21/18/56/334211856.db2.gz OZFDAHTXXMKPOT-UHFFFAOYSA-N -1 3 315.398 3.885 20 30 DHEDHM N#CC(=C([O-])c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000048520490 334287261 /nfs/dbraw/zinc/28/72/61/334287261.db2.gz SEPZKGSCNBJRGU-MRVPVSSYSA-N -1 3 301.758 3.768 20 30 DHEDHM C=CC[C@@H]1N(C(=O)c2cc(OC)ccc2[O-])CCCC1(C)C ZINC000443858799 338462033 /nfs/dbraw/zinc/46/20/33/338462033.db2.gz KZIFZAZHCDCHGJ-INIZCTEOSA-N -1 3 303.402 3.608 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc3ccsc32)nc(C)n1 ZINC000343923357 335202195 /nfs/dbraw/zinc/20/21/95/335202195.db2.gz JGXLCJRLUPEMAJ-AWEZNQCLSA-N -1 3 307.378 3.798 20 30 DHEDHM Cc1csc([N-]C(=O)c2csc(-c3ccoc3)n2)c1C#N ZINC000344886243 335282781 /nfs/dbraw/zinc/28/27/81/335282781.db2.gz CRWGIAIEBNGMDW-UHFFFAOYSA-N -1 3 315.379 3.897 20 30 DHEDHM N#Cc1c([N-]C(=O)c2ccsn2)sc2c1CCCCC2 ZINC000333823839 336210549 /nfs/dbraw/zinc/21/05/49/336210549.db2.gz JNFDVTHFKQCMTB-UHFFFAOYSA-N -1 3 303.412 3.597 20 30 DHEDHM N#C[C@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccccc1Cl ZINC000187038501 337261471 /nfs/dbraw/zinc/26/14/71/337261471.db2.gz LBKYCAOMRZMYEL-LBPRGKRZSA-N -1 3 324.689 3.752 20 30 DHEDHM C=C(C)[C@H](NC1CCC(C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000263419240 337628420 /nfs/dbraw/zinc/62/84/20/337628420.db2.gz OGXDGQLRMUDVND-TZDAIYRESA-N -1 3 309.356 3.815 20 30 DHEDHM CC(C)N(CCC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000537638099 337954549 /nfs/dbraw/zinc/95/45/49/337954549.db2.gz ISFWYFPXPRNLAB-UHFFFAOYSA-N -1 3 322.408 3.747 20 30 DHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn3ccccc3n2)s1 ZINC000430603342 338109669 /nfs/dbraw/zinc/10/96/69/338109669.db2.gz YFWAHSFTTCMXIX-LLVKDONJSA-N -1 3 324.409 3.578 20 30 DHEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430610608 338109930 /nfs/dbraw/zinc/10/99/30/338109930.db2.gz LIZHIRRRGKKMTD-LLVKDONJSA-N -1 3 301.415 3.578 20 30 DHEDHM C=CCCS(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)sc2c1 ZINC000431191070 338125490 /nfs/dbraw/zinc/12/54/90/338125490.db2.gz COXGPWJRPBLGAA-UHFFFAOYSA-N -1 3 324.471 3.912 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccc(F)c(F)c2F)c(F)c1 ZINC000152016647 338196932 /nfs/dbraw/zinc/19/69/32/338196932.db2.gz IJQIZEYNKCJMHU-UHFFFAOYSA-N -1 3 312.197 3.506 20 30 DHEDHM Cc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000436540958 338276058 /nfs/dbraw/zinc/27/60/58/338276058.db2.gz RNFUCKAYBDDBTM-UHFFFAOYSA-N -1 3 322.408 3.871 20 30 DHEDHM Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)c([O-])c1C ZINC000436607847 338279754 /nfs/dbraw/zinc/27/97/54/338279754.db2.gz UDEVBNGUENHDDD-QGZVFWFLSA-N -1 3 308.381 3.784 20 30 DHEDHM CCNc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436701395 338283323 /nfs/dbraw/zinc/28/33/23/338283323.db2.gz DEARWBBITLDMQU-UHFFFAOYSA-N -1 3 309.369 3.510 20 30 DHEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(Cl)c1Cl ZINC000436718791 338284010 /nfs/dbraw/zinc/28/40/10/338284010.db2.gz MSKNKFKTPQFEBK-GFCCVEGCSA-N -1 3 321.163 3.694 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c([O-])c1 ZINC000436759523 338286047 /nfs/dbraw/zinc/28/60/47/338286047.db2.gz ZIPYFTLNVBUWOO-MRXNPFEDSA-N -1 3 312.344 3.649 20 30 DHEDHM C=CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000436762253 338286103 /nfs/dbraw/zinc/28/61/03/338286103.db2.gz BIKFVGJNENDCSU-UHFFFAOYSA-N -1 3 307.393 3.774 20 30 DHEDHM C=CCCN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436842475 338289683 /nfs/dbraw/zinc/28/96/83/338289683.db2.gz WPYXBPCSMNQDNG-UHFFFAOYSA-N -1 3 311.381 3.619 20 30 DHEDHM C=CCC1(c2nc(-c3ccc([O-])c(OCC)c3)no2)CCC1 ZINC000436870854 338290765 /nfs/dbraw/zinc/29/07/65/338290765.db2.gz IVVPEOIJLLEUHB-UHFFFAOYSA-N -1 3 300.358 3.839 20 30 DHEDHM N#CC[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436871059 338290772 /nfs/dbraw/zinc/29/07/72/338290772.db2.gz PACDWKIPGXGNPF-OAHLLOKOSA-N -1 3 305.337 3.682 20 30 DHEDHM COc1cccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1[O-] ZINC000436930558 338293955 /nfs/dbraw/zinc/29/39/55/338293955.db2.gz YBENNRPDEOWULN-INIZCTEOSA-N -1 3 324.380 3.566 20 30 DHEDHM Cc1cc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)ccc1[O-] ZINC000470592104 339322872 /nfs/dbraw/zinc/32/28/72/339322872.db2.gz YBNWYFUADBOSDI-UHFFFAOYSA-N -1 3 314.429 3.929 20 30 DHEDHM CCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)co1 ZINC000544361371 341078185 /nfs/dbraw/zinc/07/81/85/341078185.db2.gz XMTOPVBBKKXGSK-SECBINFHSA-N -1 3 315.398 3.547 20 30 DHEDHM CCN(CCC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000133259318 341167541 /nfs/dbraw/zinc/16/75/41/341167541.db2.gz HJPABEWHASHJKM-UHFFFAOYSA-N -1 3 322.408 3.553 20 30 DHEDHM CCc1nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)co1 ZINC000155883218 341614325 /nfs/dbraw/zinc/61/43/25/341614325.db2.gz GIVULZPTJWBJOS-LLVKDONJSA-N -1 3 315.398 3.741 20 30 DHEDHM Cc1cccc([O-])c1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000183051358 524703938 /nfs/dbraw/zinc/70/39/38/524703938.db2.gz RBUKBZNHMSBDDE-UHFFFAOYSA-N -1 3 324.380 3.760 20 30 DHEDHM Cc1ccc(C2CC(N=Nc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000737330955 598295988 /nfs/dbraw/zinc/29/59/88/598295988.db2.gz OGVILCBDILLIIL-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM Cc1ccc(C2CC(N=Nc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000737330955 598295990 /nfs/dbraw/zinc/29/59/90/598295990.db2.gz OGVILCBDILLIIL-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM CCC(Cc1ccc(C)cc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736354255 598638773 /nfs/dbraw/zinc/63/87/73/598638773.db2.gz SLHDEGLSFSRRHH-UHFFFAOYSA-N -1 3 320.400 3.596 20 30 DHEDHM CCC(Cc1ccc(C)cc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736354255 598638775 /nfs/dbraw/zinc/63/87/75/598638775.db2.gz SLHDEGLSFSRRHH-UHFFFAOYSA-N -1 3 320.400 3.596 20 30 DHEDHM c1ccc([C@@H]2CCCC2N=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738428991 598741226 /nfs/dbraw/zinc/74/12/26/598741226.db2.gz QZJKAEHJIZTOCT-INIZCTEOSA-N -1 3 318.384 3.602 20 30 DHEDHM c1ccc([C@@H]2CCCC2N=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738428991 598741227 /nfs/dbraw/zinc/74/12/27/598741227.db2.gz QZJKAEHJIZTOCT-INIZCTEOSA-N -1 3 318.384 3.602 20 30 DHEDHM CC(C)N(Cc1ccc(C(=O)[O-])s1)Cc1ccc(C#N)cc1 ZINC000826951905 601944915 /nfs/dbraw/zinc/94/49/15/601944915.db2.gz UGNHGLLZGORCAV-UHFFFAOYSA-N -1 3 314.410 3.729 20 30 DHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1coc2ccccc12 ZINC000826399839 607646805 /nfs/dbraw/zinc/64/68/05/607646805.db2.gz HLWMTMYXMNYIRF-WAYWQWQTSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1coc2ccccc12 ZINC000826399839 607646807 /nfs/dbraw/zinc/64/68/07/607646807.db2.gz HLWMTMYXMNYIRF-WAYWQWQTSA-N -1 3 322.349 3.571 20 30 DHEDHM C[C@@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2)C(=O)c2ccccc21 ZINC000824857524 607680591 /nfs/dbraw/zinc/68/05/91/607680591.db2.gz DHZOQHVLNNUGJM-QJMZJAKPSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2)C(=O)c2ccccc21 ZINC000824857524 607680593 /nfs/dbraw/zinc/68/05/93/607680593.db2.gz DHZOQHVLNNUGJM-QJMZJAKPSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H](Sc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555012 607011817 /nfs/dbraw/zinc/01/18/17/607011817.db2.gz DTCBAQFQOKLTPY-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Sc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555012 607011818 /nfs/dbraw/zinc/01/18/18/607011818.db2.gz DTCBAQFQOKLTPY-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826305320 608319015 /nfs/dbraw/zinc/31/90/15/608319015.db2.gz RWRMILWKPRQRSU-SEJMYLSOSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826305320 608319016 /nfs/dbraw/zinc/31/90/16/608319016.db2.gz RWRMILWKPRQRSU-SEJMYLSOSA-N -1 3 316.364 3.559 20 30 DHEDHM CCC[C@H](C)C(CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825234376 608535378 /nfs/dbraw/zinc/53/53/78/608535378.db2.gz ZGLIKQYMIKRZIG-VIFPVBQESA-N -1 3 321.816 3.529 20 30 DHEDHM CCC[C@H](C)C(CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825234376 608535380 /nfs/dbraw/zinc/53/53/80/608535380.db2.gz ZGLIKQYMIKRZIG-VIFPVBQESA-N -1 3 321.816 3.529 20 30 DHEDHM C[C@H]1CC(=Cc2ccccc2-c2nnn[n-]2)C(=O)c2ccccc21 ZINC000824859213 946952913 /nfs/dbraw/zinc/95/29/13/946952913.db2.gz OAHIHIKWOAJMIP-SEVUAYLXSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2ccccc2-c2nn[n-]n2)C(=O)c2ccccc21 ZINC000824859213 946952917 /nfs/dbraw/zinc/95/29/17/946952917.db2.gz OAHIHIKWOAJMIP-SEVUAYLXSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C([O-])c1ccccc1C1CCN(CC#Cc2ccccc2)CC1 ZINC001595250849 949558748 /nfs/dbraw/zinc/55/87/48/949558748.db2.gz ZYSAIIUDGUNWCK-UHFFFAOYSA-N -1 3 319.404 3.616 20 30 DHEDHM COc1ccc(CC/N=C\c2cc(Cl)ccc2[O-])cc1F ZINC000728226390 1013197754 /nfs/dbraw/zinc/19/77/54/1013197754.db2.gz OFTYBHXDXAPOMG-GRSHGNNSSA-N -1 3 307.752 3.855 20 30 DHEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cncs1 ZINC000340323645 1013496515 /nfs/dbraw/zinc/49/65/15/1013496515.db2.gz PWHPWUFLAVKZAW-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2C)c(OC)cc1[O-] ZINC000255072750 1013625936 /nfs/dbraw/zinc/62/59/36/1013625936.db2.gz OCFKUGCVSVHZDQ-ALCCZGGFSA-N -1 3 316.328 3.753 20 30 DHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccco1 ZINC000121049542 1013787380 /nfs/dbraw/zinc/78/73/80/1013787380.db2.gz WAMJZWYQWRLFKP-HVHJFMEUSA-N -1 3 318.332 3.674 20 30 DHEDHM CC(C)(C)c1noc([N-]c2cccnc2OC(F)F)c1C#N ZINC001210622896 1013980059 /nfs/dbraw/zinc/98/00/59/1013980059.db2.gz YVACTBRYRNHFMC-UHFFFAOYSA-N -1 3 308.288 3.584 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000659802145 975891374 /nfs/dbraw/zinc/89/13/74/975891374.db2.gz QNRDMGJBQWGGAV-RWSFTLGLSA-N -1 3 309.768 3.788 20 30 DHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000066394042 1014627555 /nfs/dbraw/zinc/62/75/55/1014627555.db2.gz SUKCUHVWADXSSR-MRVPVSSYSA-N -1 3 311.090 3.627 20 30 DHEDHM C=CC[C@H](NCc1cc(C(=O)[O-])c(C(C)C)[nH]1)c1ccncc1 ZINC001588749493 984065759 /nfs/dbraw/zinc/06/57/59/984065759.db2.gz LENLUYUHDMWMJK-INIZCTEOSA-N -1 3 313.401 3.638 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC001599841040 988829816 /nfs/dbraw/zinc/82/98/16/988829816.db2.gz HLFRRPWNPACACA-YMTOWFKASA-N -1 3 320.801 3.750 20 30 DHEDHM N#Cc1ccc2c(c1)CN(C(=O)c1cc3sccc3c([O-])c1)C2 ZINC001143408081 1015597877 /nfs/dbraw/zinc/59/78/77/1015597877.db2.gz HFPPXAUCGOOJJH-UHFFFAOYSA-N -1 3 320.373 3.635 20 30 DHEDHM CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)c2ncccc12 ZINC000588476315 1015886063 /nfs/dbraw/zinc/88/60/63/1015886063.db2.gz MXZCZRRYDWPPIB-UHFFFAOYSA-N -1 3 324.336 3.501 20 30 DHEDHM COc1cc2c(c(/C=C/C(=O)c3ccc([O-])c(C)c3)c1)O[C@H](C)C2 ZINC000728439915 1016161265 /nfs/dbraw/zinc/16/12/65/1016161265.db2.gz HEMGYTFCSOIFBB-VUDGCMKMSA-N -1 3 324.376 3.929 20 30 DHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc([O-])c(F)c1 ZINC000892201308 1016419652 /nfs/dbraw/zinc/41/96/52/1016419652.db2.gz JVIDANYHWWKFDH-SJLPKXTDSA-N -1 3 310.372 3.803 20 30 DHEDHM O=C1CCc2cc(N=Cc3cc(Cl)ccc3[O-])c(F)cc2N1 ZINC000588523217 1016811990 /nfs/dbraw/zinc/81/19/90/1016811990.db2.gz SOAZZRLFZVSLOO-UHFFFAOYSA-N -1 3 318.735 3.820 20 30 DHEDHM COC(=O)N(C)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255509110 1016904749 /nfs/dbraw/zinc/90/47/49/1016904749.db2.gz PVCKONWOAFBBPZ-UHFFFAOYSA-N -1 3 318.760 3.999 20 30 DHEDHM N#CC(=C([O-])c1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000362127833 1032243895 /nfs/dbraw/zinc/24/38/95/1032243895.db2.gz BMHSJXRCOKWQSI-LBPRGKRZSA-N -1 3 308.234 3.730 20 30 DHEDHM N#Cc1c2ccccc2sc1[N-]C(=O)c1cnoc1C1CC1 ZINC001147651399 1032332283 /nfs/dbraw/zinc/33/22/83/1032332283.db2.gz NVOCKLPRFKVHAG-UHFFFAOYSA-N -1 3 309.350 3.891 20 30 DHEDHM Cc1coc(-c2ccc(C)c(N=Cc3ccc(O)c([O-])c3O)c2)n1 ZINC000255010361 1012845828 /nfs/dbraw/zinc/84/58/28/1012845828.db2.gz DTRRPSRZNXSDRF-UHFFFAOYSA-N -1 3 324.336 3.826 20 30 DHEDHM C#C[C@@H](NC(=O)c1cccc(CC)c1[O-])c1ccc(Cl)cc1 ZINC001625821725 1012876829 /nfs/dbraw/zinc/87/68/29/1012876829.db2.gz SFHVQRWZRPRZLJ-MRXNPFEDSA-N -1 3 313.784 3.712 20 30 DHEDHM C=CCOC(=O)[C@@H](Nc1ccc2c(c1)[N-]C(=S)C2)[C@@H](C)CC ZINC001167962108 1012883512 /nfs/dbraw/zinc/88/35/12/1012883512.db2.gz MQZIMVXTIKYAKQ-ZBEGNZNMSA-N -1 3 318.442 3.538 20 30 DHEDHM CCO[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C1=CCCC1 ZINC000073075538 1017133433 /nfs/dbraw/zinc/13/34/33/1017133433.db2.gz PBWBJJXTDDULEL-ZDUSSCGKSA-N -1 3 316.361 3.558 20 30 DHEDHM N#Cc1cc(Br)cc(Nc2cccc([O-])c2F)c1 ZINC001212550384 1018431823 /nfs/dbraw/zinc/43/18/23/1018431823.db2.gz KCFXLPBYHLMYQP-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1cc(F)cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC001171528535 1032770677 /nfs/dbraw/zinc/77/06/77/1032770677.db2.gz MQRYJACVUGLDFN-UHFFFAOYSA-N -1 3 324.233 3.674 20 30 DHEDHM Cc1ccccc1SCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073972960 1019314438 /nfs/dbraw/zinc/31/44/38/1019314438.db2.gz KMVIBFMSHOSUIC-UHFFFAOYSA-N -1 3 314.370 3.753 20 30 DHEDHM Cn1cccc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000078735556 1019581610 /nfs/dbraw/zinc/58/16/10/1019581610.db2.gz SHKIMGOITAXTQV-ZDUSSCGKSA-N -1 3 307.378 3.639 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccc(C#N)c3)n[n-]2)o1 ZINC000727636322 1019742651 /nfs/dbraw/zinc/74/26/51/1019742651.db2.gz IXVQUPQJIPFRJF-LBPRGKRZSA-N -1 3 321.336 3.768 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccc(C#N)c3)[n-]n2)o1 ZINC000727636322 1019742664 /nfs/dbraw/zinc/74/26/64/1019742664.db2.gz IXVQUPQJIPFRJF-LBPRGKRZSA-N -1 3 321.336 3.768 20 30 DHEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(F)cc1[O-] ZINC000727778448 1019776647 /nfs/dbraw/zinc/77/66/47/1019776647.db2.gz IKYXHJKUZFLODX-UHFFFAOYSA-N -1 3 316.336 3.525 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@@H]2CCC(C)C)c1[O-] ZINC000727781596 1019780135 /nfs/dbraw/zinc/78/01/35/1019780135.db2.gz RAKBMRWKKWCWPC-LAPODJAJSA-N -1 3 304.434 3.612 20 30 DHEDHM CC(N=Nc1nccc2sccc21)c1ccc(F)cc1[O-] ZINC000727778713 1019780206 /nfs/dbraw/zinc/78/02/06/1019780206.db2.gz PCZROEPPCBGRLX-UHFFFAOYSA-N -1 3 301.346 3.977 20 30 DHEDHM N#Cc1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000728174375 1019914006 /nfs/dbraw/zinc/91/40/06/1019914006.db2.gz OJMWBGZAOPUJRY-UHFFFAOYSA-N -1 3 319.133 3.916 20 30 DHEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc([O-])cc1F ZINC000729933161 1019924151 /nfs/dbraw/zinc/92/41/51/1019924151.db2.gz XWQZWDUZLOBQCG-UHFFFAOYSA-N -1 3 317.389 3.550 20 30 DHEDHM Cc1ncc(CO)c(C=Nc2ccc(SC(F)F)cc2)c1[O-] ZINC000730546324 1020003895 /nfs/dbraw/zinc/00/38/95/1020003895.db2.gz OHVKZZLTVJRXHW-UHFFFAOYSA-N -1 3 324.352 3.653 20 30 DHEDHM CC(C)n1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cn1 ZINC000732714134 1020269254 /nfs/dbraw/zinc/26/92/54/1020269254.db2.gz NBJOGLJMNJCYIM-GWHHBTOMSA-N -1 3 300.333 3.692 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc3oc(C4CC4)nc3c2)c1O ZINC000255677968 1020270917 /nfs/dbraw/zinc/27/09/17/1020270917.db2.gz APQWEMIOLZTFNC-UHFFFAOYSA-N -1 3 310.309 3.573 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1OCCc2ccccc21 ZINC000733081084 1020325479 /nfs/dbraw/zinc/32/54/79/1020325479.db2.gz MQTXCHIOTKBNBB-OXNWSPOFSA-N -1 3 301.773 3.779 20 30 DHEDHM CC(C)C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC(C)C ZINC000733904517 1020519527 /nfs/dbraw/zinc/51/95/27/1020519527.db2.gz 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UTPYCLHCVDLNKG-CYBMUJFWSA-N -1 3 324.405 3.733 20 30 DHEDHM CCCCCCN([O-])C(=O)c1nn(-c2ccccc2)cc1C ZINC001184305251 1036792443 /nfs/dbraw/zinc/79/24/43/1036792443.db2.gz BGGDOTISFRQBSS-UHFFFAOYSA-N -1 3 301.390 3.592 20 30 DHEDHM CCCCCCN([O-])C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001184305554 1036793265 /nfs/dbraw/zinc/79/32/65/1036793265.db2.gz LQICTCCSQROYRC-UHFFFAOYSA-N -1 3 312.391 3.728 20 30 DHEDHM CCCCN([O-])C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC001184314845 1036796779 /nfs/dbraw/zinc/79/67/79/1036796779.db2.gz NDOIZYOCTIHSRJ-UHFFFAOYSA-N -1 3 304.415 3.679 20 30 DHEDHM CC(C)Oc1cncc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184283433 1036802055 /nfs/dbraw/zinc/80/20/55/1036802055.db2.gz JSWUAGZQIKBLBN-UHFFFAOYSA-N -1 3 320.776 3.554 20 30 DHEDHM N#Cc1nc2[nH]ccc2cc1-c1ccc([O-])cc1C(F)(F)F ZINC001205092866 1037091472 /nfs/dbraw/zinc/09/14/72/1037091472.db2.gz PPJGVCVJWROYFM-UHFFFAOYSA-N -1 3 303.243 3.778 20 30 DHEDHM COc1ccc2[nH]nc(N=Cc3cc(Cl)ccc3[O-])c2c1 ZINC000763277059 1037547460 /nfs/dbraw/zinc/54/74/60/1037547460.db2.gz YWCQUFYRUJALBY-UHFFFAOYSA-N -1 3 301.733 3.681 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)sc2nccc(C)c12 ZINC000489862284 1037548856 /nfs/dbraw/zinc/54/88/56/1037548856.db2.gz QTVPUVGXBMZVDK-LBPRGKRZSA-N -1 3 307.378 3.798 20 30 DHEDHM C=CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000775109575 1037614054 /nfs/dbraw/zinc/61/40/54/1037614054.db2.gz YSIIYGZOCZGKOY-UHFFFAOYSA-N -1 3 314.341 3.502 20 30 DHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnn(CC)c1 ZINC001201834855 1037914425 /nfs/dbraw/zinc/91/44/25/1037914425.db2.gz YDQITRJQQXDEJK-UHFFFAOYSA-N -1 3 315.483 3.785 20 30 DHEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001188660046 1037948494 /nfs/dbraw/zinc/94/84/94/1037948494.db2.gz TWSWXULBRHZXLM-AWEZNQCLSA-N -1 3 311.381 3.756 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCCCCc1cccc(Cl)c1 ZINC001188971814 1038028697 /nfs/dbraw/zinc/02/86/97/1038028697.db2.gz SIJVARBWCYNHML-UHFFFAOYSA-N -1 3 323.849 3.938 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC001202074413 1038041651 /nfs/dbraw/zinc/04/16/51/1038041651.db2.gz AJCOKGDNXYIJSO-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C)o1 ZINC000916904292 1038042949 /nfs/dbraw/zinc/04/29/49/1038042949.db2.gz ZSBWGJBRVDDTID-OAHLLOKOSA-N -1 3 324.380 3.674 20 30 DHEDHM CCOc1cc(F)c(C(=O)[N-]c2sc(C)cc2C#N)c(F)c1 ZINC001190584006 1038349794 /nfs/dbraw/zinc/34/97/94/1038349794.db2.gz DYGQHYYOOOIAOU-UHFFFAOYSA-N -1 3 322.336 3.857 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2c(Cl)ccc3cccnc32)CC1 ZINC001190814105 1038398453 /nfs/dbraw/zinc/39/84/53/1038398453.db2.gz YRIKNKWTJRRDIS-UHFFFAOYSA-N -1 3 322.817 3.739 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)CC1 ZINC001190813722 1038399064 /nfs/dbraw/zinc/39/90/64/1038399064.db2.gz PHTGYCYJOYDTJQ-UHFFFAOYSA-N -1 3 309.431 3.540 20 30 DHEDHM CCCCCCCCNC(=O)Nc1ccc(C(=O)OC)cc1[O-] ZINC001191068990 1038428948 /nfs/dbraw/zinc/42/89/48/1038428948.db2.gz CGRJIJJACJDMDV-UHFFFAOYSA-N -1 3 322.405 3.661 20 30 DHEDHM COC(=O)C1CC(c2ccc(-c3ccc([O-])c(C#N)c3)cc2)C1 ZINC000593952439 1039796330 /nfs/dbraw/zinc/79/63/30/1039796330.db2.gz KWWGKNSBOLBQGZ-UHFFFAOYSA-N -1 3 307.349 3.597 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000597186006 1040684026 /nfs/dbraw/zinc/68/40/26/1040684026.db2.gz DCDFVKFJYFFEAX-LLVKDONJSA-N -1 3 315.398 3.884 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000602344845 1040972890 /nfs/dbraw/zinc/97/28/90/1040972890.db2.gz WZHSFQJBZDFCSW-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000682234850 1041068637 /nfs/dbraw/zinc/06/86/37/1041068637.db2.gz NMMFTIPOBRUFTE-NSHDSACASA-N -1 3 313.357 3.572 20 30 DHEDHM N#Cc1c(F)cccc1NCc1ccc([O-])c(Br)c1 ZINC000062702014 184248016 /nfs/dbraw/zinc/24/80/16/184248016.db2.gz HCKKJIZDVMEKHV-UHFFFAOYSA-N -1 3 321.149 3.778 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2cnc(Cl)cn2)c(C#N)s1 ZINC000297789926 132034277 /nfs/dbraw/zinc/03/42/77/132034277.db2.gz MWACEWYPYGTCMV-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)no1 ZINC000297907657 132039942 /nfs/dbraw/zinc/03/99/42/132039942.db2.gz RKBISMLCLOMXMN-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000556951748 331757645 /nfs/dbraw/zinc/75/76/45/331757645.db2.gz QMIBATQLBCYCBU-UHFFFAOYSA-N -1 3 312.344 3.654 20 30 DHEDHM N#CC1(C(=O)Nc2cc(Br)ccc2[O-])CCCCC1 ZINC000176431680 332940723 /nfs/dbraw/zinc/94/07/23/332940723.db2.gz CVAIFYOZWDRYTG-UHFFFAOYSA-N -1 3 323.190 3.567 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000293062038 335099754 /nfs/dbraw/zinc/09/97/54/335099754.db2.gz CCDDVXNZQFNXIL-NSHDSACASA-N -1 3 306.312 3.730 20 30 DHEDHM CC1(C)CCCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1C#N ZINC000408226223 332338121 /nfs/dbraw/zinc/33/81/21/332338121.db2.gz NULGOFSADLZJOV-QGZVFWFLSA-N -1 3 308.381 3.700 20 30 DHEDHM CCc1cccc(C(=O)N[C@H](CCC#N)c2ccccc2)c1[O-] ZINC000580176724 332984850 /nfs/dbraw/zinc/98/48/50/332984850.db2.gz ZJQRPNKCMLZXTR-QGZVFWFLSA-N -1 3 308.381 3.729 20 30 DHEDHM COc1cc(C)cc(C(=O)N(CCC#N)c2ccc(C)cc2)c1[O-] ZINC000179484133 333151280 /nfs/dbraw/zinc/15/12/80/333151280.db2.gz UXBHLXOQLATFOA-UHFFFAOYSA-N -1 3 324.380 3.578 20 30 DHEDHM N#Cc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188417076 333366184 /nfs/dbraw/zinc/36/61/84/333366184.db2.gz APUZZXUKRRLRCC-UHFFFAOYSA-N -1 3 306.243 3.535 20 30 DHEDHM C=CCC(F)(F)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296150282 335142031 /nfs/dbraw/zinc/14/20/31/335142031.db2.gz SCFONBTUVXMGRL-UHFFFAOYSA-N -1 3 320.133 3.613 20 30 DHEDHM C=C(C)COc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000340146256 334136236 /nfs/dbraw/zinc/13/62/36/334136236.db2.gz DOKXOMIDCPNQBE-UHFFFAOYSA-N -1 3 323.352 3.877 20 30 DHEDHM C=C(C)COc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000340146256 334136237 /nfs/dbraw/zinc/13/62/37/334136237.db2.gz DOKXOMIDCPNQBE-UHFFFAOYSA-N -1 3 323.352 3.877 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442970662 338440607 /nfs/dbraw/zinc/44/06/07/338440607.db2.gz XGHMNFLXKOMTRK-UHFFFAOYSA-N -1 3 303.402 3.609 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)c3ccccc3c2)nc(C)n1 ZINC000344731670 335272022 /nfs/dbraw/zinc/27/20/22/335272022.db2.gz PJHOSKXTBHAQTI-INIZCTEOSA-N -1 3 319.339 3.876 20 30 DHEDHM CCC[C@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000536686472 335865453 /nfs/dbraw/zinc/86/54/53/335865453.db2.gz ONXFUKOSUYRWEG-CYBMUJFWSA-N -1 3 310.353 3.607 20 30 DHEDHM CCc1oc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc1C ZINC000351975866 336184872 /nfs/dbraw/zinc/18/48/72/336184872.db2.gz QPOGUPYADPFBED-LBPRGKRZSA-N -1 3 307.353 3.825 20 30 DHEDHM CC(C)Oc1ccc(C#N)cc1NCc1cc([O-])cc(F)c1 ZINC000351989350 336186363 /nfs/dbraw/zinc/18/63/63/336186363.db2.gz SMMWIUQWOBQKSU-UHFFFAOYSA-N -1 3 300.333 3.802 20 30 DHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccc1C ZINC000192769952 336261299 /nfs/dbraw/zinc/26/12/99/336261299.db2.gz BLMWOTVVEUWXLV-OAHLLOKOSA-N -1 3 317.348 3.564 20 30 DHEDHM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000357724336 336595907 /nfs/dbraw/zinc/59/59/07/336595907.db2.gz QUEPVHBZFQWAKU-HNNXBMFYSA-N -1 3 316.364 3.579 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(F)F)cc2)nc(C)n1 ZINC000429681302 338087102 /nfs/dbraw/zinc/08/71/02/338087102.db2.gz VQCOBFNPMVFNCK-AWEZNQCLSA-N -1 3 315.323 3.695 20 30 DHEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430610609 338109854 /nfs/dbraw/zinc/10/98/54/338109854.db2.gz LIZHIRRRGKKMTD-NSHDSACASA-N -1 3 301.415 3.578 20 30 DHEDHM C=CCN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000431770854 338138376 /nfs/dbraw/zinc/13/83/76/338138376.db2.gz GVSBTIZXYZHAPK-UHFFFAOYSA-N -1 3 301.773 3.874 20 30 DHEDHM CSc1cccc(NC(=O)[N-]c2snc(C)c2C#N)c1 ZINC000436490198 338274109 /nfs/dbraw/zinc/27/41/09/338274109.db2.gz PPXYDHOFVKAKAZ-UHFFFAOYSA-N -1 3 304.400 3.689 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(CC)c1 ZINC000436681690 338282725 /nfs/dbraw/zinc/28/27/25/338282725.db2.gz NXDWWVKFJGKVEB-UHFFFAOYSA-N -1 3 322.408 3.879 20 30 DHEDHM Cc1nc(C(C)C)oc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000459848034 339049948 /nfs/dbraw/zinc/04/99/48/339049948.db2.gz WUTNRRNYVSMQTB-UHFFFAOYSA-N -1 3 303.387 3.909 20 30 DHEDHM N#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000471641309 339350139 /nfs/dbraw/zinc/35/01/39/339350139.db2.gz FFYQNPQADCTQRW-KRWDZBQOSA-N -1 3 320.323 3.679 20 30 DHEDHM CCc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1[O-] ZINC000485917186 339716246 /nfs/dbraw/zinc/71/62/46/339716246.db2.gz UQAXMUXESXDJDC-UHFFFAOYSA-N -1 3 324.380 3.866 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 ZINC000538745116 340846663 /nfs/dbraw/zinc/84/66/63/340846663.db2.gz SZTLXQVUTTYSHS-OAHLLOKOSA-N -1 3 314.772 3.603 20 30 DHEDHM C=CCN(Cc1cccs1)C(=O)c1cccc(CC)c1[O-] ZINC000539848040 340905597 /nfs/dbraw/zinc/90/55/97/340905597.db2.gz NOVAVIASQSOOME-UHFFFAOYSA-N -1 3 301.411 3.845 20 30 DHEDHM Cc1c(Br)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000076824733 341214530 /nfs/dbraw/zinc/21/45/30/341214530.db2.gz ACFZZXUOLJWNLT-GFCCVEGCSA-N -1 3 315.170 3.643 20 30 DHEDHM CC(C)c1cnc([N-]C(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000153451720 341540818 /nfs/dbraw/zinc/54/08/18/341540818.db2.gz NYLKHLAVOKTNFK-UHFFFAOYSA-N -1 3 307.325 3.669 20 30 DHEDHM CC(C)C(N=Nc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735684388 598900355 /nfs/dbraw/zinc/90/03/55/598900355.db2.gz KWOVUQHETIVWNA-UHFFFAOYSA-N -1 3 312.421 3.871 20 30 DHEDHM CC(C)C(N=Nc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735684388 598900357 /nfs/dbraw/zinc/90/03/57/598900357.db2.gz KWOVUQHETIVWNA-UHFFFAOYSA-N -1 3 312.421 3.871 20 30 DHEDHM C[C@H](Nc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736139868 598793134 /nfs/dbraw/zinc/79/31/34/598793134.db2.gz RKUVERNRUIMUIZ-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736139868 598793136 /nfs/dbraw/zinc/79/31/36/598793136.db2.gz RKUVERNRUIMUIZ-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](SCc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190580 599328822 /nfs/dbraw/zinc/32/88/22/599328822.db2.gz FSRCHUVDVBUVRX-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](SCc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190580 599328825 /nfs/dbraw/zinc/32/88/25/599328825.db2.gz FSRCHUVDVBUVRX-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736187428 599329387 /nfs/dbraw/zinc/32/93/87/599329387.db2.gz AKSWQCKSISNRCH-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736187428 599329389 /nfs/dbraw/zinc/32/93/89/599329389.db2.gz AKSWQCKSISNRCH-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820455342 599353852 /nfs/dbraw/zinc/35/38/52/599353852.db2.gz HJLQHWBWXMIKMW-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820455342 599353854 /nfs/dbraw/zinc/35/38/54/599353854.db2.gz HJLQHWBWXMIKMW-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1c(Cl)cccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820450301 599470975 /nfs/dbraw/zinc/47/09/75/599470975.db2.gz JIXYRVRYMSIZLH-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1c(Cl)cccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820450301 599470976 /nfs/dbraw/zinc/47/09/76/599470976.db2.gz JIXYRVRYMSIZLH-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM CC(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820187885 606388440 /nfs/dbraw/zinc/38/84/40/606388440.db2.gz XQYKJHYJWFDSGC-CLFYSBASSA-N -1 3 324.409 3.948 20 30 DHEDHM CCCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821139334 606388682 /nfs/dbraw/zinc/38/86/82/606388682.db2.gz UGPRDKJZNYBIPJ-CSKARUKUSA-N -1 3 324.409 3.777 20 30 DHEDHM C[C@@H](CCc1ccccc1)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820220593 606433547 /nfs/dbraw/zinc/43/35/47/606433547.db2.gz WQRQCPUXCHRYJC-AWEZNQCLSA-N -1 3 320.400 3.533 20 30 DHEDHM C[C@@H](CCc1ccccc1)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820220593 606433549 /nfs/dbraw/zinc/43/35/49/606433549.db2.gz WQRQCPUXCHRYJC-AWEZNQCLSA-N -1 3 320.400 3.533 20 30 DHEDHM CCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821050406 607190671 /nfs/dbraw/zinc/19/06/71/607190671.db2.gz ROXYAOIIQPTDGQ-UHFFFAOYSA-N -1 3 321.812 3.819 20 30 DHEDHM CCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821050406 607190672 /nfs/dbraw/zinc/19/06/72/607190672.db2.gz ROXYAOIIQPTDGQ-UHFFFAOYSA-N -1 3 321.812 3.819 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826264672 608880790 /nfs/dbraw/zinc/88/07/90/608880790.db2.gz WEJSYBGEWHUACH-GQCTYLIASA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826264672 608880792 /nfs/dbraw/zinc/88/07/92/608880792.db2.gz WEJSYBGEWHUACH-GQCTYLIASA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826264269 609271954 /nfs/dbraw/zinc/27/19/54/609271954.db2.gz HZAHHBABHXVCBF-UTCJRWHESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826264269 609271956 /nfs/dbraw/zinc/27/19/56/609271956.db2.gz HZAHHBABHXVCBF-UTCJRWHESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc(C)c1F ZINC000737232232 945015991 /nfs/dbraw/zinc/01/59/91/945015991.db2.gz ZTPZYYCIWZREEN-VOTSOKGWSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc(C)c1F ZINC000737232232 945015998 /nfs/dbraw/zinc/01/59/98/945015998.db2.gz ZTPZYYCIWZREEN-VOTSOKGWSA-N -1 3 322.343 3.519 20 30 DHEDHM O=C1OCCN1c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255385436 1014086109 /nfs/dbraw/zinc/08/61/09/1014086109.db2.gz ZMPGVAHDZSCUML-UHFFFAOYSA-N -1 3 316.744 3.753 20 30 DHEDHM CCc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000684012375 1014274386 /nfs/dbraw/zinc/27/43/86/1014274386.db2.gz ZTAUPVIJEWXGCT-MRXNPFEDSA-N -1 3 301.349 3.682 20 30 DHEDHM CC(=NNCc1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000727060410 1014485929 /nfs/dbraw/zinc/48/59/29/1014485929.db2.gz OEZBFCXKGMIZAY-UHFFFAOYSA-N -1 3 310.731 3.838 20 30 DHEDHM CCCNC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255285217 1014650225 /nfs/dbraw/zinc/65/02/25/1014650225.db2.gz ADOIUPKJUDJJIO-UHFFFAOYSA-N -1 3 316.788 3.936 20 30 DHEDHM CCCCCCCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001595704261 982272642 /nfs/dbraw/zinc/27/26/42/982272642.db2.gz AUCGJZXQRVRGKJ-UHFFFAOYSA-N -1 3 310.463 3.539 20 30 DHEDHM C[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843779773 1014854985 /nfs/dbraw/zinc/85/49/85/1014854985.db2.gz VKKGQXPQXHUMTJ-ZETCQYMHSA-N -1 3 307.127 3.504 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001595885685 982907619 /nfs/dbraw/zinc/90/76/19/982907619.db2.gz AWJULPBVBHBYLB-ZDUSSCGKSA-N -1 3 312.369 3.823 20 30 DHEDHM C#C[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588377590 983358100 /nfs/dbraw/zinc/35/81/00/983358100.db2.gz NIKHDDMERIANGP-QGTPRVQTSA-N -1 3 317.404 3.903 20 30 DHEDHM CO[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])C12CCC2 ZINC000840710421 1016969235 /nfs/dbraw/zinc/96/92/35/1016969235.db2.gz JINQEZFAALPCPM-IPQBXTHCSA-N -1 3 324.218 3.531 20 30 DHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001147172198 1032281824 /nfs/dbraw/zinc/28/18/24/1032281824.db2.gz LCDRWDFFXSFLOP-IUODEOHRSA-N -1 3 305.443 3.979 20 30 DHEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001148507020 1032411479 /nfs/dbraw/zinc/41/14/79/1032411479.db2.gz LEHQOSCEFXDZHA-CQSZACIVSA-N -1 3 311.381 3.756 20 30 DHEDHM CC(C)(CCC#N)c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC001148900864 1032451053 /nfs/dbraw/zinc/45/10/53/1032451053.db2.gz MAXUPEUODAATLG-UHFFFAOYSA-N -1 3 309.369 3.621 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2csc3ccccc32)nc(C)n1 ZINC000075440581 1017303778 /nfs/dbraw/zinc/30/37/78/1017303778.db2.gz UVWWOFKUKNOOPP-ZDUSSCGKSA-N -1 3 307.378 3.798 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(F)F)cc2F)nc(C)n1 ZINC000654969952 1012219118 /nfs/dbraw/zinc/21/91/18/1012219118.db2.gz QJNUBIXAKITYDD-LBPRGKRZSA-N -1 3 319.286 3.660 20 30 DHEDHM C=CC[C@@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCCC1(C)C ZINC000277907998 1017641298 /nfs/dbraw/zinc/64/12/98/1017641298.db2.gz XEFSSHXBABGQLE-ZDUSSCGKSA-N -1 3 317.458 3.964 20 30 DHEDHM CCC(=NNc1nc2ccccc2n1C)c1ccc([O-])c(F)c1 ZINC000764684489 1018351194 /nfs/dbraw/zinc/35/11/94/1018351194.db2.gz YNYSYXRHPJUERU-UHFFFAOYSA-N -1 3 312.348 3.644 20 30 DHEDHM CC(C)c1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c([O-])c1 ZINC000408416455 1018645198 /nfs/dbraw/zinc/64/51/98/1018645198.db2.gz TYOYYPHXFQEUSA-MRXNPFEDSA-N -1 3 300.402 3.670 20 30 DHEDHM N#C[C@@H]1CC[C@@H](Sc2nnc([N-]c3ccccc3F)s2)C1 ZINC000450632252 1018941896 /nfs/dbraw/zinc/94/18/96/1018941896.db2.gz MSAHWJDCGXMHPX-NXEZZACHSA-N -1 3 320.418 4.205 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccc(F)cc1F ZINC000730147407 1019951784 /nfs/dbraw/zinc/95/17/84/1019951784.db2.gz NPXMMISSCPQJAF-OCKHKDLRSA-N -1 3 311.715 3.822 20 30 DHEDHM COCCOc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000730465017 1019993430 /nfs/dbraw/zinc/99/34/30/1019993430.db2.gz SXDXZBSUNLZSNW-UITAMQMPSA-N -1 3 312.365 3.622 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2nccn2Cc2ccccc2)ccc1[O-] ZINC000734095157 1020555414 /nfs/dbraw/zinc/55/54/14/1020555414.db2.gz LPCZGVDDSQQHHJ-MDZDMXLPSA-N -1 3 318.376 3.842 20 30 DHEDHM CCn1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C ZINC000589019092 1020759710 /nfs/dbraw/zinc/75/97/10/1020759710.db2.gz KDSIRJZXQBOGFL-OAHLLOKOSA-N -1 3 318.380 3.558 20 30 DHEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000613292770 1020892471 /nfs/dbraw/zinc/89/24/71/1020892471.db2.gz WNYKJBBVSRPTOV-HNNXBMFYSA-N -1 3 320.323 3.873 20 30 DHEDHM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000173951261 1020947258 /nfs/dbraw/zinc/94/72/58/1020947258.db2.gz QCSQTWLLZBAFDC-ZDUSSCGKSA-N -1 3 311.410 3.994 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000007333199 1020960956 /nfs/dbraw/zinc/96/09/56/1020960956.db2.gz DOYOGZJMWYNKIS-YXYQAXARSA-N -1 3 313.284 3.823 20 30 DHEDHM COc1ccccc1O[C@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000743043855 1021207957 /nfs/dbraw/zinc/20/79/57/1021207957.db2.gz BKARUVBTAMTQDC-ZGXHQARYSA-N -1 3 319.788 3.941 20 30 DHEDHM COc1cc(C=NNc2cccc(F)c2F)cc(Cl)c1[O-] ZINC000743443522 1021292656 /nfs/dbraw/zinc/29/26/56/1021292656.db2.gz HWPWKHHZYBNWCL-UHFFFAOYSA-N -1 3 312.703 3.778 20 30 DHEDHM COc1ccc([N+](=O)[O-])cc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000917558672 1021295192 /nfs/dbraw/zinc/29/51/92/1021295192.db2.gz UTOHLDJXMOBOGX-CAOOACKPSA-N -1 3 320.732 3.582 20 30 DHEDHM CCCCCCCCCN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000918398128 1021507581 /nfs/dbraw/zinc/50/75/81/1021507581.db2.gz VWRNRJLGORDJGC-UHFFFAOYSA-N -1 3 321.465 3.551 20 30 DHEDHM C=CCCO[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000856030515 1022741564 /nfs/dbraw/zinc/74/15/64/1022741564.db2.gz HAOAAWQJDGFCGL-UHFFFAOYSA-N -1 3 303.402 3.589 20 30 DHEDHM Cc1cc(=O)[n-]c(CSCc2ccccc2C(C)(C)C#N)n1 ZINC000767827201 1022818909 /nfs/dbraw/zinc/81/89/09/1022818909.db2.gz DFJBQGIHKREMII-UHFFFAOYSA-N -1 3 313.426 3.725 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CC[C@H]1CC1(F)F ZINC000856718798 1022843757 /nfs/dbraw/zinc/84/37/57/1022843757.db2.gz OLEXFODOOZNREP-UVSFYCKTSA-N -1 3 304.134 3.619 20 30 DHEDHM Cc1ccc2c(c1)nc(C/N=C/c1cc(Cl)ccc1[O-])n2C ZINC000768753674 1023020549 /nfs/dbraw/zinc/02/05/49/1023020549.db2.gz ZCJGBBFYOMPFRW-DJKKODMXSA-N -1 3 313.788 3.860 20 30 DHEDHM CC(=NNc1ccc(C)cn1)c1ccc(Br)cc1[O-] ZINC000756827275 1024041688 /nfs/dbraw/zinc/04/16/88/1024041688.db2.gz SNZOIWVZVLBTAK-UHFFFAOYSA-N -1 3 320.190 3.694 20 30 DHEDHM O=C1c2cccc([O-])c2C/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000131132269 1024263601 /nfs/dbraw/zinc/26/36/01/1024263601.db2.gz CWMVQUGWRIJLGG-JBQYMGEESA-N -1 3 307.305 3.679 20 30 DHEDHM C=CCCN(OCc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000790347973 1024284879 /nfs/dbraw/zinc/28/48/79/1024284879.db2.gz QKQGGAVCDXAVAK-HNNXBMFYSA-N -1 3 313.401 3.562 20 30 DHEDHM C#CCCN(CC(F)(F)F)C(=O)c1cc([O-])c2ccccc2c1 ZINC000792327041 1024663399 /nfs/dbraw/zinc/66/33/99/1024663399.db2.gz IVBGRLABFKJMKM-UHFFFAOYSA-N -1 3 321.298 3.573 20 30 DHEDHM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)c(C)c1 ZINC000188676848 1024808055 /nfs/dbraw/zinc/80/80/55/1024808055.db2.gz HSDBQSPRUZPIHU-HNNXBMFYSA-N -1 3 316.364 3.579 20 30 DHEDHM C=CCOc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263387975 1024960175 /nfs/dbraw/zinc/96/01/75/1024960175.db2.gz YGWBEMMLKYFDBS-GXTWGEPZSA-N -1 3 323.820 3.590 20 30 DHEDHM N#CCOc1ccccc1Nc1cccc([O-])c1Br ZINC001212603554 1025450850 /nfs/dbraw/zinc/45/08/50/1025450850.db2.gz FYDATWXYPXYAOC-UHFFFAOYSA-N -1 3 319.158 3.801 20 30 DHEDHM C#CCN(Cc1ccccc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000804835991 1025494063 /nfs/dbraw/zinc/49/40/63/1025494063.db2.gz NQYLLTZPKKGXQM-UHFFFAOYSA-N -1 3 321.401 3.883 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn2ccccc12 ZINC000729643905 1025669945 /nfs/dbraw/zinc/66/99/45/1025669945.db2.gz KNGWXEBMGKKJIU-ZDIKFAODSA-N -1 3 308.312 3.562 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCCC1(F)F ZINC000806550378 1025908731 /nfs/dbraw/zinc/90/87/31/1025908731.db2.gz BVSACTQAYYNYJQ-PFJSLNBISA-N -1 3 304.134 3.761 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCC2(CCC2)O1 ZINC000887269753 1026163183 /nfs/dbraw/zinc/16/31/83/1026163183.db2.gz AOWGWLJJWWHARM-YRUBURHZSA-N -1 3 324.218 3.675 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\C1CCC2(COC2)CC1 ZINC000887270391 1026163860 /nfs/dbraw/zinc/16/38/60/1026163860.db2.gz MYYHTCAASGEGBT-IUXPMGMMSA-N -1 3 324.218 3.533 20 30 DHEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(C(F)F)cc2)c1 ZINC000811184540 1026950688 /nfs/dbraw/zinc/95/06/88/1026950688.db2.gz QIXGSLAUOMEFLE-UHFFFAOYSA-N -1 3 303.264 3.558 20 30 DHEDHM COc1ccc(O)c(C=Nc2ccc([O-])c(COC(C)C)c2)c1 ZINC000811624905 1027038686 /nfs/dbraw/zinc/03/86/86/1027038686.db2.gz WKWPBCPPIIZPGS-UHFFFAOYSA-N -1 3 315.369 3.782 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(F)c1C#N ZINC000811688367 1027062809 /nfs/dbraw/zinc/06/28/09/1027062809.db2.gz OEPQGVIUAMDMGZ-MKVDPYIPSA-N -1 3 311.287 3.925 20 30 DHEDHM CCCCCCC(C=NN1CC(=O)[N-]C1=O)=Cc1ccccc1 ZINC000812452273 1027288422 /nfs/dbraw/zinc/28/84/22/1027288422.db2.gz SKSRRXCHQGGQTE-MJEZEYFLSA-N -1 3 313.401 3.578 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448966918 1028217409 /nfs/dbraw/zinc/21/74/09/1028217409.db2.gz HATLWYTZVUKJAL-UHFFFAOYSA-N -1 3 305.393 3.669 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000815773075 1028623357 /nfs/dbraw/zinc/62/33/57/1028623357.db2.gz BBNHELRWNFNFEK-VIFPVBQESA-N -1 3 323.261 3.974 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000816166019 1028750993 /nfs/dbraw/zinc/75/09/93/1028750993.db2.gz HMKCYLIKUDEQNU-CYBMUJFWSA-N -1 3 301.283 3.910 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@@H](C)C2 ZINC000411014033 1028999208 /nfs/dbraw/zinc/99/92/08/1028999208.db2.gz PBQKAOWRGYBXHE-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1c(Cl)c(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1C ZINC000817344165 1029134814 /nfs/dbraw/zinc/13/48/14/1029134814.db2.gz WDDVJSOHDXJBGW-WRDFDADTSA-N -1 3 320.751 3.610 20 30 DHEDHM Cc1c(Cl)c(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1C ZINC000817344163 1029135597 /nfs/dbraw/zinc/13/55/97/1029135597.db2.gz WDDVJSOHDXJBGW-QCCBYXMRSA-N -1 3 320.751 3.610 20 30 DHEDHM Cc1csc([N-]C(=O)c2coc(C3CCCC3)n2)c1C#N ZINC000569766246 1029261202 /nfs/dbraw/zinc/26/12/02/1029261202.db2.gz VKSKQUNGSDRKAP-UHFFFAOYSA-N -1 3 301.371 3.826 20 30 DHEDHM CCC[C@H](C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001136475793 1029861510 /nfs/dbraw/zinc/86/15/10/1029861510.db2.gz SRMNDZIIHSILLJ-QGZVFWFLSA-N -1 3 322.408 3.599 20 30 DHEDHM CC(C)(C)[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000866126234 1030135696 /nfs/dbraw/zinc/13/56/96/1030135696.db2.gz WHMKNVJBCGGPNH-LURJTMIESA-N -1 3 315.204 3.667 20 30 DHEDHM O=C1c2cc(Cl)ccc2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794944317 1030421403 /nfs/dbraw/zinc/42/14/03/1030421403.db2.gz FLLRFVSOVHWHFQ-VMPITWQZSA-N -1 3 322.694 3.983 20 30 DHEDHM O=C1c2c(F)ccc(F)c2OC/C1=C/c1c(F)ccc([O-])c1F ZINC000794946980 1030433546 /nfs/dbraw/zinc/43/35/46/1030433546.db2.gz ZSVNILKITDKWBX-ALCCZGGFSA-N -1 3 324.229 3.607 20 30 DHEDHM COc1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)ccc1F ZINC000794947301 1030434118 /nfs/dbraw/zinc/43/41/18/1030434118.db2.gz WDKGRAYZUHFIAW-UTCJRWHESA-N -1 3 308.255 3.714 20 30 DHEDHM CC[C@@H](C)[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000867837022 1030487921 /nfs/dbraw/zinc/48/79/21/1030487921.db2.gz OJCOKSXLHHYPNG-VDTYLAMSSA-N -1 3 315.204 3.667 20 30 DHEDHM C#CCN(C(=O)c1cc(SC)ccc1[O-])C1CCCCC1 ZINC000824325856 1030522739 /nfs/dbraw/zinc/52/27/39/1030522739.db2.gz SONCOWNYIWGUGB-UHFFFAOYSA-N -1 3 303.427 3.522 20 30 DHEDHM CC(N=Nc1cccc(F)n1)c1ccc(Br)cc1[O-] ZINC000795006698 1030554894 /nfs/dbraw/zinc/55/48/94/1030554894.db2.gz RSRHTVUERQSEEK-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM CCCCCCCCCCC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503399 1031648345 /nfs/dbraw/zinc/64/83/45/1031648345.db2.gz WDHIYAPBSUVFFN-HNNXBMFYSA-N -1 3 321.465 3.962 20 30 DHEDHM CC[C@@H](CC(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845470 1031726800 /nfs/dbraw/zinc/72/68/00/1031726800.db2.gz XWGANZGLRJAUCE-JSGCOSHPSA-N -1 3 319.351 3.678 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)ccc1[O-] ZINC000777916319 1031850386 /nfs/dbraw/zinc/85/03/86/1031850386.db2.gz HYMAJKOEICBBIY-XVNBXDOJSA-N -1 3 301.273 3.644 20 30 DHEDHM N#CC(=C([O-])c1cccc2cnccc21)c1cnc2ccccc2n1 ZINC000361529643 1031972351 /nfs/dbraw/zinc/97/23/51/1031972351.db2.gz GCHHRNQTHJYDEL-MRXNPFEDSA-N -1 3 324.343 3.668 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000846550854 1031996655 /nfs/dbraw/zinc/99/66/55/1031996655.db2.gz UZNNCFOABCSUAS-CQSZACIVSA-N -1 3 303.402 3.606 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000846548424 1031997091 /nfs/dbraw/zinc/99/70/91/1031997091.db2.gz TWTHXPKHXYDKKW-SSDOTTSWSA-N -1 3 322.213 3.640 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000846756735 1032051484 /nfs/dbraw/zinc/05/14/84/1032051484.db2.gz LDJSFYVNLAXRJB-YZZMFIOESA-N -1 3 321.726 3.965 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NCC1CCSCC1 ZINC000863125433 1034001654 /nfs/dbraw/zinc/00/16/54/1034001654.db2.gz VXTYUONBAKLSLD-UHFFFAOYSA-N -1 3 304.444 3.833 20 30 DHEDHM CC1(CN=Nc2nc3ccccc3[n-]c2=S)CCOCC1 ZINC000863128963 1034003195 /nfs/dbraw/zinc/00/31/95/1034003195.db2.gz RZANUBXVQWJHFE-UHFFFAOYSA-N -1 3 302.403 3.507 20 30 DHEDHM CC(CC1CCOCC1)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128075 1034004123 /nfs/dbraw/zinc/00/41/23/1034004123.db2.gz FMUBCYAGNNGFNG-UHFFFAOYSA-N -1 3 316.430 3.897 20 30 DHEDHM CC(C)(C)NC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174127170 1034150350 /nfs/dbraw/zinc/15/03/50/1034150350.db2.gz YKJLMMJTAYJSQK-UHFFFAOYSA-N -1 3 309.369 3.536 20 30 DHEDHM CCc1ccc([C@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000794678500 1034336721 /nfs/dbraw/zinc/33/67/21/1034336721.db2.gz BWTWBVAYUJIDNS-OXNWSPOFSA-N -1 3 303.789 3.761 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3ccc(C(C)C)cc32)c1[O-] ZINC000777402552 1034446966 /nfs/dbraw/zinc/44/69/66/1034446966.db2.gz KPXMWQDEBLPMAI-RCECTWRXSA-N -1 3 324.424 3.818 20 30 DHEDHM C[C@@H]1CC2(CC(/N=C/c3cc(Br)ccc3[O-])C2)CO1 ZINC000899231484 1034523450 /nfs/dbraw/zinc/52/34/50/1034523450.db2.gz DZFWZGIXQURWQT-YBFIAZTKSA-N -1 3 324.218 3.531 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2ccnc(F)c2F)c(C#N)s1 ZINC000193611027 1034849184 /nfs/dbraw/zinc/84/91/84/1034849184.db2.gz DIHVTPPXHICLHJ-UHFFFAOYSA-N -1 3 321.352 3.843 20 30 DHEDHM O=C(c1ccccc1C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000899895018 1034951699 /nfs/dbraw/zinc/95/16/99/1034951699.db2.gz ASLKFNTXHJYQAD-UHFFFAOYSA-N -1 3 313.250 3.876 20 30 DHEDHM C=CCn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001176542034 1035289128 /nfs/dbraw/zinc/28/91/28/1035289128.db2.gz KYAAGJMXJWRPRX-UHFFFAOYSA-N -1 3 319.162 3.716 20 30 DHEDHM CC1CC(C#N)(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904180352 1035377462 /nfs/dbraw/zinc/37/74/62/1035377462.db2.gz KBSUKFFMFVVWBP-UHFFFAOYSA-N -1 3 313.184 3.651 20 30 DHEDHM CC[C@H]1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000904170398 1035380959 /nfs/dbraw/zinc/38/09/59/1035380959.db2.gz BVJILQBGJKBFGO-RDJZCZTQSA-N -1 3 313.397 3.763 20 30 DHEDHM O=C(N([O-])Cc1cccc2ccccc21)C1(C(F)(F)F)CC1 ZINC000904170880 1035381259 /nfs/dbraw/zinc/38/12/59/1035381259.db2.gz NPNXFLHLFUGVIW-UHFFFAOYSA-N -1 3 309.287 3.900 20 30 DHEDHM N#C[C@@]1(C(=O)N([O-])Cc2ccccc2Cl)CC12CCCC2 ZINC000904193009 1035383757 /nfs/dbraw/zinc/38/37/57/1035383757.db2.gz ILQLUHQRSXAWTP-MRXNPFEDSA-N -1 3 304.777 3.532 20 30 DHEDHM O=C(C[C@H]1CCC(F)(F)C1)N([O-])Cc1ccccc1Cl ZINC000904192970 1035383816 /nfs/dbraw/zinc/38/38/16/1035383816.db2.gz GWAQEOZTVODWGL-SNVBAGLBSA-N -1 3 303.736 3.883 20 30 DHEDHM [O-]c1ccc(Br)cc1C=Nc1ccc2c(c1)CCO2 ZINC000914556608 1036104207 /nfs/dbraw/zinc/10/42/07/1036104207.db2.gz BWTGQANKAZBFLT-UHFFFAOYSA-N -1 3 318.170 3.840 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000762436743 1036759291 /nfs/dbraw/zinc/75/92/91/1036759291.db2.gz QEWBVVXZWMCCBY-XQYGWFHQSA-N -1 3 313.875 3.844 20 30 DHEDHM CCc1cc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1 ZINC000487909671 1036768901 /nfs/dbraw/zinc/76/89/01/1036768901.db2.gz KCLHQIUWHZXYGV-ZDUSSCGKSA-N -1 3 307.353 3.825 20 30 DHEDHM CCCCN([O-])C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001184315058 1036796692 /nfs/dbraw/zinc/79/66/92/1036796692.db2.gz PZGFWODKPZKMKM-UHFFFAOYSA-N -1 3 322.792 3.946 20 30 DHEDHM O=C(c1cccnc1C(F)F)N([O-])Cc1ccccc1Cl ZINC001184283879 1036802752 /nfs/dbraw/zinc/80/27/52/1036802752.db2.gz UTLPKVYLVAQWCY-UHFFFAOYSA-N -1 3 312.703 3.704 20 30 DHEDHM COc1ccsc1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293572 1036806686 /nfs/dbraw/zinc/80/66/86/1036806686.db2.gz YZZKKQSDWVFIBN-UHFFFAOYSA-N -1 3 305.399 3.611 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC001197844410 1036878877 /nfs/dbraw/zinc/87/88/77/1036878877.db2.gz SQFIZYCERVVFQV-JTQLQIEISA-N -1 3 321.377 3.501 20 30 DHEDHM CCc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)s1 ZINC000763104326 1037253908 /nfs/dbraw/zinc/25/39/08/1037253908.db2.gz DBBOTMWLOIZLSM-FPLPWBNLSA-N -1 3 318.394 3.929 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(C)ccc2F)c(OC)cc1[O-] ZINC000763104310 1037255099 /nfs/dbraw/zinc/25/50/99/1037255099.db2.gz CYWFUXIMWSNRTJ-ALCCZGGFSA-N -1 3 316.328 3.753 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC001187992971 1037775109 /nfs/dbraw/zinc/77/51/09/1037775109.db2.gz BODAAGACGLLNRQ-UHFFFAOYSA-N -1 3 315.483 3.740 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001188648395 1037944895 /nfs/dbraw/zinc/94/48/95/1037944895.db2.gz HVKHUXSZJVKEMJ-UHFFFAOYSA-N -1 3 319.404 3.605 20 30 DHEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OC(C)C ZINC000775236144 1038129827 /nfs/dbraw/zinc/12/98/27/1038129827.db2.gz ZFGZDWKOFSHTFP-UHFFFAOYSA-N -1 3 301.342 3.650 20 30 DHEDHM Cc1c(F)ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c1Cl ZINC001191374164 1038497672 /nfs/dbraw/zinc/49/76/72/1038497672.db2.gz OCLNJOWQTOUGQQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/01/75/83/335017583.db2.gz GBPCZPHMVYTFMA-CQSZACIVSA-N -1 3 316.426 3.628 20 30 DHEDHM Cc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555401 183202254 /nfs/dbraw/zinc/20/22/54/183202254.db2.gz NEEMZMVGWIEXOO-ZDUSSCGKSA-N -1 3 304.271 3.899 20 30 DHEDHM C#C[C@H]([N-]c1nnc(-c2ccccn2)s1)c1ccc(F)cc1 ZINC000491626113 429379724 /nfs/dbraw/zinc/37/97/24/429379724.db2.gz MFCYNSMDLKWZHT-ZDUSSCGKSA-N -1 3 310.357 3.526 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)c(F)cc2F)c(F)c1 ZINC000133042055 332135662 /nfs/dbraw/zinc/13/56/62/332135662.db2.gz NMCHVOUNXHBBAP-UHFFFAOYSA-N -1 3 312.197 3.506 20 30 DHEDHM CCOc1ccc(N(CCC#N)C(=O)c2cccc(C)c2[O-])cc1 ZINC000094106118 332147603 /nfs/dbraw/zinc/14/76/03/332147603.db2.gz LPRIUWYKALGCSR-UHFFFAOYSA-N -1 3 324.380 3.660 20 30 DHEDHM N#CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000343332222 335109781 /nfs/dbraw/zinc/10/97/81/335109781.db2.gz DGXGPUBNIDDFPX-INIZCTEOSA-N -1 3 314.772 3.820 20 30 DHEDHM N#CCCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177406306 332986524 /nfs/dbraw/zinc/98/65/24/332986524.db2.gz AJMACAHWHYZXRH-UHFFFAOYSA-N -1 3 310.353 3.608 20 30 DHEDHM CCC(CC)c1cc(C(=O)[N-]c2ccc(F)cc2C#N)on1 ZINC000177569669 332991617 /nfs/dbraw/zinc/99/16/17/332991617.db2.gz LDTXOWDZBVIFKU-UHFFFAOYSA-N -1 3 301.321 3.841 20 30 DHEDHM N#CC1(c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2)CC1 ZINC000575623047 333133312 /nfs/dbraw/zinc/13/33/12/333133312.db2.gz VOAMJGHUTOCWCC-UHFFFAOYSA-N -1 3 312.756 3.853 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271775800 334026721 /nfs/dbraw/zinc/02/67/21/334026721.db2.gz DYNBIEGFPJKOSG-GFCCVEGCSA-N -1 3 319.430 3.934 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271775800 334026722 /nfs/dbraw/zinc/02/67/22/334026722.db2.gz DYNBIEGFPJKOSG-GFCCVEGCSA-N -1 3 319.430 3.934 20 30 DHEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])[C@@H]1CCCCO1 ZINC000271969471 334029167 /nfs/dbraw/zinc/02/91/67/334029167.db2.gz WJGIFQVOPNOGGV-LDCRIVGHSA-N -1 3 312.207 3.531 20 30 DHEDHM C[C@@H](C#N)CN(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273522502 334048348 /nfs/dbraw/zinc/04/83/48/334048348.db2.gz QQZDSEVNOVLVLY-HNNXBMFYSA-N -1 3 310.397 3.563 20 30 DHEDHM C[C@H](/N=C/c1ccccc1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000298632358 334250369 /nfs/dbraw/zinc/25/03/69/334250369.db2.gz GTVCKIKSCDIXSQ-DZUMZMOTSA-N -1 3 323.396 3.856 20 30 DHEDHM CC(C)c1cc(C(=O)N(CC#N)C2CC2)c([O-])c(C(C)C)c1 ZINC000299453063 334255443 /nfs/dbraw/zinc/25/54/43/334255443.db2.gz RWDYCJZOERTUSN-UHFFFAOYSA-N -1 3 300.402 3.767 20 30 DHEDHM C=C(C)CN(CC)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187900820 334353367 /nfs/dbraw/zinc/35/33/67/334353367.db2.gz BISTZAIOIPBPOC-UHFFFAOYSA-N -1 3 323.392 3.661 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000330558983 334789860 /nfs/dbraw/zinc/78/98/60/334789860.db2.gz REZJFZHLAPRKTJ-CZUORRHYSA-N -1 3 305.418 3.853 20 30 DHEDHM C=CCCOCCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345151595 335301914 /nfs/dbraw/zinc/30/19/14/335301914.db2.gz DNRVJFYSEVMXRJ-HNNXBMFYSA-N -1 3 317.429 3.995 20 30 DHEDHM CC(C)c1scnc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000346523491 335418289 /nfs/dbraw/zinc/41/82/89/335418289.db2.gz RHDAPRHXRCRMRC-UHFFFAOYSA-N -1 3 307.325 3.669 20 30 DHEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1sc2nccn2c1C ZINC000329811958 336085049 /nfs/dbraw/zinc/08/50/49/336085049.db2.gz MYWMPURYKJXELF-UHFFFAOYSA-N -1 3 302.359 3.514 20 30 DHEDHM Cc1nc(C2CC2)oc1C(=O)[N-]c1ncnc2oc(C)c(C)c21 ZINC000329817274 336085509 /nfs/dbraw/zinc/08/55/09/336085509.db2.gz FSCBUGGOYZLRRI-UHFFFAOYSA-N -1 3 312.329 3.650 20 30 DHEDHM Cc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1[O-] ZINC000352160149 336198198 /nfs/dbraw/zinc/19/81/98/336198198.db2.gz HJOXIGGZQHWWSB-KRWDZBQOSA-N -1 3 308.381 3.866 20 30 DHEDHM COc1ccc([O-])c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000352198892 336201602 /nfs/dbraw/zinc/20/16/02/336201602.db2.gz RLYMONNGBRAYMD-KRWDZBQOSA-N -1 3 324.380 3.566 20 30 DHEDHM CSc1cccc(C)c1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000354367147 336468389 /nfs/dbraw/zinc/46/83/89/336468389.db2.gz PSZMXSSTFSHEGM-UHFFFAOYSA-N -1 3 317.801 3.889 20 30 DHEDHM CC(=O)c1csc(C(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC000358971334 336650460 /nfs/dbraw/zinc/65/04/60/336650460.db2.gz ZWRRZJTUFUNEJZ-UHFFFAOYSA-N -1 3 304.396 3.753 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2ncncc2Cl)c(C#N)s1 ZINC000179553579 337170055 /nfs/dbraw/zinc/17/00/55/337170055.db2.gz YXIFAHGWRFTLGI-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM CSc1cccc(C(=O)[N-]c2sccc2C#N)c1[N+](=O)[O-] ZINC000185970106 337253623 /nfs/dbraw/zinc/25/36/23/337253623.db2.gz QBANUODUKDINKF-UHFFFAOYSA-N -1 3 319.367 3.502 20 30 DHEDHM CC(C)n1cccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190958584 337291796 /nfs/dbraw/zinc/29/17/96/337291796.db2.gz WQMIWDOPESEKSZ-CYBMUJFWSA-N -1 3 304.353 3.502 20 30 DHEDHM Cc1onc(-c2ccccc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000046440464 337425446 /nfs/dbraw/zinc/42/54/46/337425446.db2.gz KEOGQXDPRSSWPC-AWEZNQCLSA-N -1 3 303.321 3.535 20 30 DHEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1csc2ccccc12 ZINC000571806080 337577584 /nfs/dbraw/zinc/57/75/84/337577584.db2.gz IVEOKTLXDPUMFD-UHFFFAOYSA-N -1 3 308.428 3.583 20 30 DHEDHM C=C(C)[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)OCC ZINC000274331677 337659780 /nfs/dbraw/zinc/65/97/80/337659780.db2.gz APYAHCOZBAZLCG-BBRMVZONSA-N -1 3 303.402 3.604 20 30 DHEDHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426698284 338038488 /nfs/dbraw/zinc/03/84/88/338038488.db2.gz ZKMSGYHEJNHTLZ-INIZCTEOSA-N -1 3 317.410 3.619 20 30 DHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433826432 338202818 /nfs/dbraw/zinc/20/28/18/338202818.db2.gz OOAFJZHHWDDNLN-SECBINFHSA-N -1 3 315.847 3.798 20 30 DHEDHM Cc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c([O-])c1C ZINC000436550833 338276686 /nfs/dbraw/zinc/27/66/86/338276686.db2.gz VMMQTIJLQHTBTC-OAHLLOKOSA-N -1 3 314.772 3.657 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(CCC#N)CC(CC)CC)c1 ZINC000436570994 338277719 /nfs/dbraw/zinc/27/77/19/338277719.db2.gz UJSJNBWJZBWZSZ-UHFFFAOYSA-N -1 3 302.418 3.747 20 30 DHEDHM N#Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)ccn1 ZINC000436616477 338280145 /nfs/dbraw/zinc/28/01/45/338280145.db2.gz IIHFLIHDXGLZMD-UHFFFAOYSA-N -1 3 314.304 3.529 20 30 DHEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(CC)cc1[O-] ZINC000436825076 338288903 /nfs/dbraw/zinc/28/89/03/338288903.db2.gz DZJJGXMBWPQAFQ-UHFFFAOYSA-N -1 3 309.409 3.826 20 30 DHEDHM Cc1cccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1[O-] ZINC000436923224 338293672 /nfs/dbraw/zinc/29/36/72/338293672.db2.gz BKHPOOJAXXPINI-KRWDZBQOSA-N -1 3 308.381 3.866 20 30 DHEDHM C=CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000456378117 338928253 /nfs/dbraw/zinc/92/82/53/338928253.db2.gz HBASZNRHZIZNAZ-UHFFFAOYSA-N -1 3 310.397 3.537 20 30 DHEDHM N#CC1CCC(CNCc2cccc([O-])c2Br)CC1 ZINC000459538082 339034600 /nfs/dbraw/zinc/03/46/00/339034600.db2.gz USWIRFGHLGCZSN-UHFFFAOYSA-N -1 3 323.234 3.574 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCCCc1ccc(Cl)cc1 ZINC000470837632 339329035 /nfs/dbraw/zinc/32/90/35/339329035.db2.gz VXXPCFZMQKPOOI-UHFFFAOYSA-N -1 3 309.822 3.548 20 30 DHEDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547245 340461679 /nfs/dbraw/zinc/46/16/79/340461679.db2.gz LDJFKMVLCTZHEQ-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM C=C(C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c(F)c1 ZINC000184853391 340496129 /nfs/dbraw/zinc/49/61/29/340496129.db2.gz LSTXHMMUZHERPN-MRXNPFEDSA-N -1 3 303.308 3.718 20 30 DHEDHM Cc1cc(C#N)cnc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000551722745 341350065 /nfs/dbraw/zinc/35/00/65/341350065.db2.gz MEQVKDZVRPGBLC-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2scnc2C2CC2)s1 ZINC000089778070 341408300 /nfs/dbraw/zinc/40/83/00/341408300.db2.gz KUGFNNQPSDFZMV-UHFFFAOYSA-N -1 3 303.412 3.768 20 30 DHEDHM C=CCN(Cc1cc([O-])cc(C(F)(F)F)c1)CC(F)(F)F ZINC000564529642 341503265 /nfs/dbraw/zinc/50/32/65/341503265.db2.gz SNNZHRSMAGOVPS-UHFFFAOYSA-N -1 3 313.241 3.961 20 30 DHEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436755122 517334058 /nfs/dbraw/zinc/33/40/58/517334058.db2.gz MLGOBBYABDIZBZ-UHFFFAOYSA-N -1 3 301.411 3.899 20 30 DHEDHM CCc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000265732661 523030289 /nfs/dbraw/zinc/03/02/89/523030289.db2.gz YDFQKMOCBLRSOV-UHFFFAOYSA-N -1 3 315.398 3.691 20 30 DHEDHM C[C@H](Sc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190568 599289627 /nfs/dbraw/zinc/28/96/27/599289627.db2.gz FQNJAFIZZUQBBN-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Sc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190568 599289628 /nfs/dbraw/zinc/28/96/28/599289628.db2.gz FQNJAFIZZUQBBN-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736514744 600595477 /nfs/dbraw/zinc/59/54/77/600595477.db2.gz YLOWZBWYMVWVLJ-GOSISDBHSA-N -1 3 308.381 3.597 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000827718469 601297680 /nfs/dbraw/zinc/29/76/80/601297680.db2.gz SVBFHPAWSVNERM-ZBEGNZNMSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@H]1CC(=Cc2cc(-c3nnn[n-]3)cs2)C(=O)c2ccccc21 ZINC000824860548 607681023 /nfs/dbraw/zinc/68/10/23/607681023.db2.gz VNFSTDQRRDDPGJ-VUBLIPMDSA-N -1 3 322.393 3.702 20 30 DHEDHM C[C@H]1CC(=Cc2cc(-c3nn[n-]n3)cs2)C(=O)c2ccccc21 ZINC000824860548 607681024 /nfs/dbraw/zinc/68/10/24/607681024.db2.gz VNFSTDQRRDDPGJ-VUBLIPMDSA-N -1 3 322.393 3.702 20 30 DHEDHM C[C@H]1CC(=Cc2cc(-c3nnn[n-]3)cs2)C(=O)c2ccccc21 ZINC000824860546 607681026 /nfs/dbraw/zinc/68/10/26/607681026.db2.gz VNFSTDQRRDDPGJ-QBQSQJOESA-N -1 3 322.393 3.702 20 30 DHEDHM C[C@H]1CC(=Cc2cc(-c3nn[n-]n3)cs2)C(=O)c2ccccc21 ZINC000824860546 607681027 /nfs/dbraw/zinc/68/10/27/607681027.db2.gz VNFSTDQRRDDPGJ-QBQSQJOESA-N -1 3 322.393 3.702 20 30 DHEDHM C[C@H]1CC(=Cc2cccc(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824860467 607681302 /nfs/dbraw/zinc/68/13/02/607681302.db2.gz UYTUVYAOVNWZHR-CMHHUMAZSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2cccc(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824860467 607681303 /nfs/dbraw/zinc/68/13/03/607681303.db2.gz UYTUVYAOVNWZHR-CMHHUMAZSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000825502801 604304328 /nfs/dbraw/zinc/30/43/28/604304328.db2.gz KWDCGWYXRSDWKA-KBPBESRZSA-N -1 3 323.396 3.738 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000826305293 608318732 /nfs/dbraw/zinc/31/87/32/608318732.db2.gz QXTXADAXOULJMA-SEJMYLSOSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000826305293 608318733 /nfs/dbraw/zinc/31/87/33/608318733.db2.gz QXTXADAXOULJMA-SEJMYLSOSA-N -1 3 316.364 3.559 20 30 DHEDHM C[C@@H]1CC(=Cc2ccccc2-c2nnn[n-]2)C(=O)c2ccccc21 ZINC000824859212 946952466 /nfs/dbraw/zinc/95/24/66/946952466.db2.gz OAHIHIKWOAJMIP-POKNLVKOSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2ccccc2-c2nn[n-]n2)C(=O)c2ccccc21 ZINC000824859212 946952474 /nfs/dbraw/zinc/95/24/74/946952474.db2.gz OAHIHIKWOAJMIP-POKNLVKOSA-N -1 3 316.364 3.640 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000826297736 947860863 /nfs/dbraw/zinc/86/08/63/947860863.db2.gz QIDVIHGLYCUELN-CLFYSBASSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000826297736 947860868 /nfs/dbraw/zinc/86/08/68/947860868.db2.gz QIDVIHGLYCUELN-CLFYSBASSA-N -1 3 322.343 3.519 20 30 DHEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C ZINC000846794278 1032072766 /nfs/dbraw/zinc/07/27/66/1032072766.db2.gz XZONIFFTUKQEOD-INIZCTEOSA-N -1 3 324.371 3.620 20 30 DHEDHM N#CC1(CCCCOC(=O)c2ccc(N)c(Cl)c2[O-])CCC1 ZINC000909414621 1013583707 /nfs/dbraw/zinc/58/37/07/1013583707.db2.gz MEIAPNJFGACIEI-UHFFFAOYSA-N -1 3 322.792 3.649 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000331224837 1013863093 /nfs/dbraw/zinc/86/30/93/1013863093.db2.gz BOFQOYXXLRGRPX-QWHCGFSZSA-N -1 3 304.390 3.914 20 30 DHEDHM CC#CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000166542922 1015065265 /nfs/dbraw/zinc/06/52/65/1015065265.db2.gz FOXSANUKEWFRBI-UHFFFAOYSA-N -1 3 316.407 3.501 20 30 DHEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000119030227 1032253612 /nfs/dbraw/zinc/25/36/12/1032253612.db2.gz RUNJNFZRQLQGCW-CQSZACIVSA-N -1 3 324.380 3.806 20 30 DHEDHM N#Cc1c2ccccc2sc1[N-]C(=O)c1cc(C2CC2)on1 ZINC001146917724 1032263582 /nfs/dbraw/zinc/26/35/82/1032263582.db2.gz YQMPUUOYSVSLFL-UHFFFAOYSA-N -1 3 309.350 3.891 20 30 DHEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000424963617 1012189323 /nfs/dbraw/zinc/18/93/23/1012189323.db2.gz DOROISVQBCNBEY-UONOGXRCSA-N -1 3 322.364 3.607 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(F)ccc2F)c(OC)cc1[O-] ZINC000255033909 1013037794 /nfs/dbraw/zinc/03/77/94/1013037794.db2.gz PYWXCXQAGOKSMQ-UTCJRWHESA-N -1 3 320.291 3.584 20 30 DHEDHM COc1ccsc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000764434361 1018281348 /nfs/dbraw/zinc/28/13/48/1018281348.db2.gz YQNREMKUNWAWLO-FZGDARCMSA-N -1 3 304.342 3.985 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(C(C)C)nc1CC ZINC000338554992 1019185465 /nfs/dbraw/zinc/18/54/65/1019185465.db2.gz PSQIVXSSNOBTCI-UHFFFAOYSA-N -1 3 318.446 3.543 20 30 DHEDHM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000078490894 1019516124 /nfs/dbraw/zinc/51/61/24/1019516124.db2.gz NYYKBVIMHFCPCJ-UHFFFAOYSA-N -1 3 306.243 3.535 20 30 DHEDHM CSC(C)(C)C/N=C\c1cc(Br)ccc1[O-] ZINC000255870712 1019629504 /nfs/dbraw/zinc/62/95/04/1019629504.db2.gz ZOPMMCZVYSKJQS-AUWJEWJLSA-N -1 3 302.237 3.715 20 30 DHEDHM CC(=NNc1ccc(F)cn1)c1cc(Br)ccc1[O-] ZINC000731321355 1020090262 /nfs/dbraw/zinc/09/02/62/1020090262.db2.gz GWKHBLQESDUFHA-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647371727 1020214964 /nfs/dbraw/zinc/21/49/64/1020214964.db2.gz XOEKBXMOCNZRGP-AWEZNQCLSA-N -1 3 312.394 3.909 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1OCCc2ccccc21 ZINC000733081081 1020325114 /nfs/dbraw/zinc/32/51/14/1020325114.db2.gz MQTXCHIOTKBNBB-AEUYPJEVSA-N -1 3 301.773 3.779 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2cccnc2)cc(Cl)c1[O-] ZINC000255831513 1020407342 /nfs/dbraw/zinc/40/73/42/1020407342.db2.gz XMZAMJQZNJUQDC-WAYWQWQTSA-N -1 3 303.745 3.735 20 30 DHEDHM N#Cc1cc(F)ccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000728621528 1020652650 /nfs/dbraw/zinc/65/26/50/1020652650.db2.gz MGZVAFAPVMLQGA-UHFFFAOYSA-N -1 3 313.115 3.689 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1ccccc1Cl ZINC000740763918 1020949663 /nfs/dbraw/zinc/94/96/63/1020949663.db2.gz UBPCUBHKPZCJFB-OADJVDCOSA-N -1 3 310.180 3.852 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cnc3ccc(Cl)cn23)ccc1[O-] ZINC000737443103 1021039141 /nfs/dbraw/zinc/03/91/41/1021039141.db2.gz GFWQONSKQKXDTK-XQRVVYSFSA-N -1 3 312.756 3.898 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](CC2CC2)c2ccccc2)c1[O-] ZINC000741843222 1021060649 /nfs/dbraw/zinc/06/06/49/1021060649.db2.gz JYPOJTGOTRCJRP-PGNNWUFWSA-N -1 3 310.397 3.548 20 30 DHEDHM COCCOc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000917558878 1021296240 /nfs/dbraw/zinc/29/62/40/1021296240.db2.gz BDILSQSSFBWSKV-UHFFFAOYSA-N -1 3 305.761 3.821 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](CC(C)C)c2cccs2)c1[O-] ZINC000918155507 1021472290 /nfs/dbraw/zinc/47/22/90/1021472290.db2.gz SXKYPDMHYAMIDI-VRKJEAOJSA-N -1 3 318.442 3.856 20 30 DHEDHM COc1cc(C(=O)/C=C/c2coc(-c3ccccc3)n2)ccc1[O-] ZINC000109707630 1021717311 /nfs/dbraw/zinc/71/73/11/1021717311.db2.gz WSDAVPFCFDJUGM-CSKARUKUSA-N -1 3 321.332 3.952 20 30 DHEDHM Cc1cc(=O)[n-]c(N=NC(C)[C@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000920359222 1022108246 /nfs/dbraw/zinc/10/82/46/1022108246.db2.gz JAYJZAQPITUNTR-OLZOCXBDSA-N -1 3 316.792 3.736 20 30 DHEDHM Cc1cc(=O)[n-]c(N=NC(C)[C@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000920359220 1022109313 /nfs/dbraw/zinc/10/93/13/1022109313.db2.gz JAYJZAQPITUNTR-CHWSQXEVSA-N -1 3 316.792 3.736 20 30 DHEDHM CCSC1(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000852998905 1022192413 /nfs/dbraw/zinc/19/24/13/1022192413.db2.gz TXRFYUOOQPLSLM-OVCLIPMQSA-N -1 3 314.248 3.859 20 30 DHEDHM CCc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)no1 ZINC000887638205 1033040790 /nfs/dbraw/zinc/04/07/90/1033040790.db2.gz OYOIXKMIHIRPJJ-VIFPVBQESA-N -1 3 315.398 3.547 20 30 DHEDHM N#Cc1cc([O-])ccc1-c1cccc(C2(C#N)CCOCC2)c1 ZINC000854200243 1022427281 /nfs/dbraw/zinc/42/72/81/1022427281.db2.gz MCKQANXRQLSSNW-UHFFFAOYSA-N -1 3 304.349 3.503 20 30 DHEDHM C[C@@H]1CCN(C(=O)/C=C\c2ccccc2C#N)c2c([O-])cccc21 ZINC000768663741 1023006609 /nfs/dbraw/zinc/00/66/09/1023006609.db2.gz PGHXJBRNCACQPW-CFYYFVFUSA-N -1 3 318.376 3.817 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc2nccn21 ZINC000769608258 1023187772 /nfs/dbraw/zinc/18/77/72/1023187772.db2.gz QYGIKCONNLGITP-JMZICWNOSA-N -1 3 308.312 3.562 20 30 DHEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1[N+](=O)[O-] ZINC000770574723 1023325332 /nfs/dbraw/zinc/32/53/32/1023325332.db2.gz ZGJFNWWQSJSNJA-DAXSKMNVSA-N -1 3 313.309 3.514 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccccc2)ccc1[O-] ZINC000771525501 1023448178 /nfs/dbraw/zinc/44/81/78/1023448178.db2.gz CWOPTUVEMUBCAS-LUAWRHEFSA-N -1 3 318.376 3.997 20 30 DHEDHM C=CCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000771835622 1023472572 /nfs/dbraw/zinc/47/25/72/1023472572.db2.gz AGWWCTMTPKBTAE-IUOVYFEOSA-N -1 3 310.397 3.714 20 30 DHEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788277379 1023870340 /nfs/dbraw/zinc/87/03/40/1023870340.db2.gz WNQMIRMQUZMNNM-UHFFFAOYSA-N -1 3 322.389 3.751 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000662085309 1023893060 /nfs/dbraw/zinc/89/30/60/1023893060.db2.gz CZLBVXVJIMXEFR-BETUJISGSA-N -1 3 321.380 3.765 20 30 DHEDHM COC[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000746815054 1024087115 /nfs/dbraw/zinc/08/71/15/1024087115.db2.gz FPNGUNRSNSASQJ-YDDPGSGASA-N -1 3 303.789 3.722 20 30 DHEDHM COC(=O)C1(C/N=C/c2cc(Cl)ccc2[O-])CCCCC1 ZINC000783683903 1024143449 /nfs/dbraw/zinc/14/34/49/1024143449.db2.gz BVAINDJLZLNZFW-VCHYOVAHSA-N -1 3 309.793 3.588 20 30 DHEDHM CC(C)n1ncc2c1C[C@@H](/N=C/c1cc(Cl)ccc1[O-])CC2 ZINC000790098385 1024221711 /nfs/dbraw/zinc/22/17/11/1024221711.db2.gz HKJMVBFKDXOSLN-OMPOGXFXSA-N -1 3 317.820 3.799 20 30 DHEDHM C[C@@H](CC#N)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094107649 1024260014 /nfs/dbraw/zinc/26/00/14/1024260014.db2.gz RDZAMDFTRHZLFZ-HNNXBMFYSA-N -1 3 322.408 3.552 20 30 DHEDHM O=C1CCN1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000790597870 1024332154 /nfs/dbraw/zinc/33/21/54/1024332154.db2.gz HBTXYGXVGFQMQA-UHFFFAOYSA-N -1 3 300.745 3.533 20 30 DHEDHM Cn1ccc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2c1=O ZINC000790573746 1024336232 /nfs/dbraw/zinc/33/62/32/1024336232.db2.gz HETCFJXKOFHZBO-UHFFFAOYSA-N -1 3 312.756 3.648 20 30 DHEDHM N#Cc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1F ZINC000791313882 1024476598 /nfs/dbraw/zinc/47/65/98/1024476598.db2.gz AYSWMLDUGQSYKE-UHFFFAOYSA-N -1 3 313.115 3.689 20 30 DHEDHM N#CCN(C(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC000791366422 1024483885 /nfs/dbraw/zinc/48/38/85/1024483885.db2.gz IZISJBZFCJLTQY-UHFFFAOYSA-N -1 3 300.383 3.515 20 30 DHEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791366678 1024484050 /nfs/dbraw/zinc/48/40/50/1024484050.db2.gz LVUGVAKNMHQSSS-GTNSWQLSSA-N -1 3 314.410 3.809 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CC1CC(F)(F)C1 ZINC000793655018 1025147774 /nfs/dbraw/zinc/14/77/74/1025147774.db2.gz NXOWHKLOUJQECL-FRKPEAEDSA-N -1 3 304.134 3.619 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(F)F)cc2)n1 ZINC000041521793 1025407922 /nfs/dbraw/zinc/40/79/22/1025407922.db2.gz LQDFRSYZBOSOQR-NSHDSACASA-N -1 3 308.309 3.543 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)Cc1ccccc1-2)c1ccncn1 ZINC000354472357 1025437529 /nfs/dbraw/zinc/43/75/29/1025437529.db2.gz OTXZBZHGCYJKMS-SFHVURJKSA-N -1 3 311.344 3.538 20 30 DHEDHM N#CC(=C([O-])c1cccc(Oc2ccccc2)c1)c1ccncn1 ZINC000354466977 1025438457 /nfs/dbraw/zinc/43/84/57/1025438457.db2.gz KPHHJLPIOUXLFH-KRWDZBQOSA-N -1 3 315.332 3.759 20 30 DHEDHM Cc1ccc(CCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000051266419 1025768313 /nfs/dbraw/zinc/76/83/13/1025768313.db2.gz DNTWXXWBFJYGSP-UHFFFAOYSA-N -1 3 312.295 3.743 20 30 DHEDHM Cc1ccc(CCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000051266419 1025768325 /nfs/dbraw/zinc/76/83/25/1025768325.db2.gz DNTWXXWBFJYGSP-UHFFFAOYSA-N -1 3 312.295 3.743 20 30 DHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c(C)c1OC ZINC000806571717 1025929262 /nfs/dbraw/zinc/92/92/62/1025929262.db2.gz MWWGEWDIZWMVTI-UITAMQMPSA-N -1 3 312.365 3.922 20 30 DHEDHM CCC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc([O-])c(F)c1 ZINC000807989470 1026166207 /nfs/dbraw/zinc/16/62/07/1026166207.db2.gz NNICCMHIGIPQNR-UHFFFAOYSA-N -1 3 317.320 3.974 20 30 DHEDHM Cc1csc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C#N ZINC000809005873 1026433091 /nfs/dbraw/zinc/43/30/91/1026433091.db2.gz VOUXGIKEGJBRPV-UHFFFAOYSA-N -1 3 321.745 3.742 20 30 DHEDHM N#Cc1cc(COC(=O)c2cc3cc(Cl)sc3[n-]2)ccn1 ZINC000810608512 1026806436 /nfs/dbraw/zinc/80/64/36/1026806436.db2.gz RTLRGSJHNPAQGT-UHFFFAOYSA-N -1 3 317.757 3.506 20 30 DHEDHM CCc1nc(C(C)C)ccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000815233983 1028423852 /nfs/dbraw/zinc/42/38/52/1028423852.db2.gz WCIDXSAOFVNIDD-UHFFFAOYSA-N -1 3 324.380 3.702 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cc(Cl)c(Cl)n2C)n1 ZINC000041515756 1028742592 /nfs/dbraw/zinc/74/25/92/1028742592.db2.gz OBYJONLJPFGJRB-ZETCQYMHSA-N -1 3 314.197 3.587 20 30 DHEDHM N#Cc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c(F)c1 ZINC000011810909 1028884882 /nfs/dbraw/zinc/88/48/82/1028884882.db2.gz SXJSFTBHGDYIKQ-UHFFFAOYSA-N -1 3 313.115 3.689 20 30 DHEDHM CC[C@H](CC#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817590903 1029218618 /nfs/dbraw/zinc/21/86/18/1029218618.db2.gz IDFXDCZTXFJXDY-SECBINFHSA-N -1 3 321.154 3.894 20 30 DHEDHM C=CC[C@H]1N(C(=O)c2ccc(C(C)=O)c([O-])c2)CCCC1(C)C ZINC000412299137 1029397250 /nfs/dbraw/zinc/39/72/50/1029397250.db2.gz ZPKNAJLMRXMUGX-QGZVFWFLSA-N -1 3 315.413 3.802 20 30 DHEDHM Cc1cccc2c1OC/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794937890 1030392624 /nfs/dbraw/zinc/39/26/24/1030392624.db2.gz MEBWHWAVNYXHDZ-JXMROGBWSA-N -1 3 302.276 3.638 20 30 DHEDHM C=CCn1c(SCc2ccc(SC(C)C)cc2)n[n-]c1=O ZINC000358263747 1030410930 /nfs/dbraw/zinc/41/09/30/1030410930.db2.gz NSRPVYRCYXBBQO-UHFFFAOYSA-N -1 3 321.471 3.963 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1C1CCCCC1 ZINC000358579905 1030545422 /nfs/dbraw/zinc/54/54/22/1030545422.db2.gz NUPQHNKZIQYEIA-OAHLLOKOSA-N -1 3 308.385 3.582 20 30 DHEDHM CCCCCCCC[C@@H](C)C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825041379 1030705823 /nfs/dbraw/zinc/70/58/23/1030705823.db2.gz ZVSQUBCAROUIJO-CYBMUJFWSA-N -1 3 319.449 3.720 20 30 DHEDHM N#C[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000928223025 1031261532 /nfs/dbraw/zinc/26/15/32/1031261532.db2.gz LWEOEPKONYTGKF-CQSZACIVSA-N -1 3 322.364 3.560 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2ccccc2)s1 ZINC000844654369 1031269892 /nfs/dbraw/zinc/26/98/92/1031269892.db2.gz QNBXTCCFAPCNJM-NSHDSACASA-N -1 3 317.414 3.670 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000844654435 1031270654 /nfs/dbraw/zinc/27/06/54/1031270654.db2.gz RBNCWVHOGKZXKI-MNOVXSKESA-N -1 3 323.462 3.922 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCCCC3)nc1-2 ZINC000845478662 1031612344 /nfs/dbraw/zinc/61/23/44/1031612344.db2.gz ZMNTVHWPHTUPIP-WHLNPGIBSA-N -1 3 322.412 3.969 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001144640406 1031774631 /nfs/dbraw/zinc/77/46/31/1031774631.db2.gz VEWPTXURRLUREC-UHFFFAOYSA-N -1 3 305.418 3.767 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)c3cccnc23)c1O ZINC000873851039 1031946823 /nfs/dbraw/zinc/94/68/23/1031946823.db2.gz FABOHQRRMWPXGW-UHFFFAOYSA-N -1 3 314.728 3.756 20 30 DHEDHM CC(C)n1nccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361523760 1031969112 /nfs/dbraw/zinc/96/91/12/1031969112.db2.gz GHMDQMNKOQHASZ-HNNXBMFYSA-N -1 3 304.353 3.502 20 30 DHEDHM CCc1cnccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361524717 1031969479 /nfs/dbraw/zinc/96/94/79/1031969479.db2.gz LMVQFJDPOQTNSG-QGZVFWFLSA-N -1 3 301.349 3.682 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000846549263 1031998175 /nfs/dbraw/zinc/99/81/75/1031998175.db2.gz IVOXOZJFNFKKEE-WDEREUQCSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C(C)CO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000846535635 1032000239 /nfs/dbraw/zinc/00/02/39/1032000239.db2.gz HTIOQTUVBOQOQE-UHFFFAOYSA-N -1 3 303.402 3.608 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000846538959 1032005863 /nfs/dbraw/zinc/00/58/63/1032005863.db2.gz MXTYRDOZCDMXQN-UHFFFAOYSA-N -1 3 310.806 3.506 20 30 DHEDHM CCc1onc(-c2ccccc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000361661405 1032041509 /nfs/dbraw/zinc/04/15/09/1032041509.db2.gz FLABLOVAAOIMQQ-AWEZNQCLSA-N -1 3 317.348 3.789 20 30 DHEDHM CCC(N=Nc1nc2ccccc2[n-]c1=S)[C@@H]1CCOC1 ZINC000863128749 1034002379 /nfs/dbraw/zinc/00/23/79/1034002379.db2.gz QLGRPUHMRHIDGB-SNVBAGLBSA-N -1 3 302.403 3.507 20 30 DHEDHM CO[C@H]1CCCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863128412 1034003305 /nfs/dbraw/zinc/00/33/05/1034003305.db2.gz NKWDKPQOMICKDY-ZDUSSCGKSA-N -1 3 302.403 3.649 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NCCC[C@H]1CCOC1 ZINC000863128398 1034004224 /nfs/dbraw/zinc/00/42/24/1034004224.db2.gz MTUNRSOAGCOTDX-NSHDSACASA-N -1 3 302.403 3.507 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCOC12CCCC2 ZINC000899231514 1034523642 /nfs/dbraw/zinc/52/36/42/1034523642.db2.gz FPAXVIQDQWJBNK-NGWPFTMJSA-N -1 3 324.218 3.675 20 30 DHEDHM N#Cc1nc2ccc(Nc3c(F)ccc([O-])c3F)cc2s1 ZINC001175267858 1034914684 /nfs/dbraw/zinc/91/46/84/1034914684.db2.gz ATAWDTARTOGPBL-UHFFFAOYSA-N -1 3 303.293 3.895 20 30 DHEDHM O=C([C@H]1COc2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC000899895276 1034950705 /nfs/dbraw/zinc/95/07/05/1034950705.db2.gz OQFTYSPDUPPNTD-SFHVURJKSA-N -1 3 319.360 3.734 20 30 DHEDHM N#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001175428862 1034977644 /nfs/dbraw/zinc/97/76/44/1034977644.db2.gz OUEMWXURVSYAQJ-UHFFFAOYSA-N -1 3 312.336 3.635 20 30 DHEDHM O=C(CC[C@@H]1CCCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901370199 1035134816 /nfs/dbraw/zinc/13/48/16/1035134816.db2.gz UYXJMEDWTYQYFX-KRWDZBQOSA-N -1 3 313.397 3.907 20 30 DHEDHM CC[C@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CCO1 ZINC000904170402 1035380980 /nfs/dbraw/zinc/38/09/80/1035380980.db2.gz BVJILQBGJKBFGO-WBVHZDCISA-N -1 3 313.397 3.763 20 30 DHEDHM O=C(CC[C@@H]1CC1(Cl)Cl)N([O-])Cc1ccc(F)cc1 ZINC000904177977 1035381524 /nfs/dbraw/zinc/38/15/24/1035381524.db2.gz VIGFQCDOPNFYET-SNVBAGLBSA-N -1 3 306.164 3.518 20 30 DHEDHM N#C[C@]1(C(=O)N([O-])Cc2ccccc2Cl)CC12CCCC2 ZINC000904193008 1035383378 /nfs/dbraw/zinc/38/33/78/1035383378.db2.gz ILQLUHQRSXAWTP-INIZCTEOSA-N -1 3 304.777 3.532 20 30 DHEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)C#N)cc1 ZINC001194640023 1035977902 /nfs/dbraw/zinc/97/79/02/1035977902.db2.gz ZPBOWJDGHQKPLU-CQSZACIVSA-N -1 3 314.410 3.731 20 30 DHEDHM CCCCCCN([O-])C(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC001184306014 1036792958 /nfs/dbraw/zinc/79/29/58/1036792958.db2.gz ZZVQERFZKFYVIA-CYBMUJFWSA-N -1 3 311.447 3.974 20 30 DHEDHM CCCCN([O-])C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC001184315426 1036798525 /nfs/dbraw/zinc/79/85/25/1036798525.db2.gz YWLABULHWSKWHT-UHFFFAOYSA-N -1 3 301.342 3.781 20 30 DHEDHM N#Cc1cc(NC(=O)CC2(c3ccc(F)cc3)CCC2)ccc1[O-] ZINC001184879823 1036967151 /nfs/dbraw/zinc/96/71/51/1036967151.db2.gz NSPHEXWBLYQGQV-UHFFFAOYSA-N -1 3 324.355 3.853 20 30 DHEDHM Cc1ccccc1CC1(C(=O)Nc2ccc([O-])c(C#N)c2)CC1 ZINC001185192050 1037048478 /nfs/dbraw/zinc/04/84/78/1037048478.db2.gz MTEPWEJPEYWKSH-UHFFFAOYSA-N -1 3 306.365 3.534 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cccc(F)c2F)c(OC)cc1[O-] ZINC000763103473 1037255782 /nfs/dbraw/zinc/25/57/82/1037255782.db2.gz CQQRWBHVIXUUGX-SREVYHEPSA-N -1 3 320.291 3.584 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cc(Cl)cc3cccnc32)c1O ZINC000912787367 1037573853 /nfs/dbraw/zinc/57/38/53/1037573853.db2.gz KSRSQEINTHZUPP-UHFFFAOYSA-N -1 3 314.728 3.756 20 30 DHEDHM CC(=NNCc1ccc(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000915975281 1037625420 /nfs/dbraw/zinc/62/54/20/1037625420.db2.gz QKGQTEFVIBGXKI-UHFFFAOYSA-N -1 3 310.731 3.838 20 30 DHEDHM Cc1ccc(C(C)C)c(O)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001188181792 1037839699 /nfs/dbraw/zinc/83/96/99/1037839699.db2.gz PVPJBRRDZVGWNS-UHFFFAOYSA-N -1 3 310.353 3.654 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2ccc(Cl)cc2Cl)c1C#N ZINC001202071526 1038008174 /nfs/dbraw/zinc/00/81/74/1038008174.db2.gz RRIHFWBYOUIZNC-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM C=CCn1c(SCc2ccc(CC(C)C)cc2)n[n-]c1=O ZINC001188969824 1038027763 /nfs/dbraw/zinc/02/77/63/1038027763.db2.gz FGBHBHYJRQITHX-UHFFFAOYSA-N -1 3 303.431 3.661 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccccc2C(F)(F)F)o1 ZINC001202155131 1038074775 /nfs/dbraw/zinc/07/47/75/1038074775.db2.gz XAHVIDMFQGTFBF-UHFFFAOYSA-N -1 3 310.235 3.518 20 30 DHEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)c(-n2cccc2)s1 ZINC001189305104 1038120532 /nfs/dbraw/zinc/12/05/32/1038120532.db2.gz ZDKPRDGEWUBFHE-UHFFFAOYSA-N -1 3 323.377 3.677 20 30 DHEDHM C=C(C)COc1cccc(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000589381979 1038466150 /nfs/dbraw/zinc/46/61/50/1038466150.db2.gz HCNRNVXPNJOCEB-UHFFFAOYSA-N -1 3 313.353 3.608 20 30 DHEDHM CSc1ccc([O-])c(C(=O)N(CCC#N)CCC(C)C)c1 ZINC000597144881 1040664891 /nfs/dbraw/zinc/66/48/91/1040664891.db2.gz OHUFXYXYHNHFFF-UHFFFAOYSA-N -1 3 306.431 3.516 20 30 DHEDHM CSc1ccc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)c1 ZINC000597161071 1040670660 /nfs/dbraw/zinc/67/06/60/1040670660.db2.gz OTPOBBLSQFJBGC-UHFFFAOYSA-N -1 3 306.431 3.516 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000602344047 1040987944 /nfs/dbraw/zinc/98/79/44/1040987944.db2.gz SSDUUVVLZDWFTE-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM C[C@@H](C#N)N(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000598133938 1041079259 /nfs/dbraw/zinc/07/92/59/1041079259.db2.gz UTJIUNGUPZORFQ-ZDUSSCGKSA-N -1 3 322.364 3.701 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000417603780 335003899 /nfs/dbraw/zinc/00/38/99/335003899.db2.gz AIVPPMRRYLXPEY-SNVBAGLBSA-N -1 3 321.726 3.868 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1OCC1CC1 ZINC000417607632 335006891 /nfs/dbraw/zinc/00/68/91/335006891.db2.gz GVEHLJZNVWOWTP-OAHLLOKOSA-N -1 3 323.820 3.638 20 30 DHEDHM N#Cc1ccc(NC([O-])=NOC2CCCC2)cc1C(F)(F)F ZINC000271806754 129964672 /nfs/dbraw/zinc/96/46/72/129964672.db2.gz LFUGUQFCHRFLQR-UHFFFAOYSA-N -1 3 313.279 3.573 20 30 DHEDHM N#Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1C(F)(F)F ZINC000271806754 129964675 /nfs/dbraw/zinc/96/46/75/129964675.db2.gz LFUGUQFCHRFLQR-UHFFFAOYSA-N -1 3 313.279 3.573 20 30 DHEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cocn3)c(C#N)c2[C@@H]1C ZINC000297807664 132034979 /nfs/dbraw/zinc/03/49/79/132034979.db2.gz LJXUYWDZYGIMPG-RKDXNWHRSA-N -1 3 301.371 3.546 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)no1 ZINC000297907654 132040150 /nfs/dbraw/zinc/04/01/50/132040150.db2.gz RKBISMLCLOMXMN-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM C#C[C@@H]([N-]c1nnc(-c2ccccn2)s1)c1ccc(F)cc1 ZINC000491626112 429379437 /nfs/dbraw/zinc/37/94/37/429379437.db2.gz MFCYNSMDLKWZHT-CYBMUJFWSA-N -1 3 310.357 3.526 20 30 DHEDHM C[C@@H]([N-]C(=O)C(C)(F)F)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000367962999 331645402 /nfs/dbraw/zinc/64/54/02/331645402.db2.gz ORDICOWPILKHQI-SECBINFHSA-N -1 3 321.352 3.514 20 30 DHEDHM N#Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426796175 332154792 /nfs/dbraw/zinc/15/47/92/332154792.db2.gz AOFCOSIVQGQCBU-INIZCTEOSA-N -1 3 314.772 3.517 20 30 DHEDHM N#Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426811785 332156981 /nfs/dbraw/zinc/15/69/81/332156981.db2.gz OJUHEBHPRGNRBA-INIZCTEOSA-N -1 3 314.772 3.517 20 30 DHEDHM CCOc1cc(CN2CCC(CC#N)CC2)cc(Cl)c1[O-] ZINC000560603264 332368150 /nfs/dbraw/zinc/36/81/50/332368150.db2.gz NIBKIFQKROKCIB-UHFFFAOYSA-N -1 3 308.809 3.570 20 30 DHEDHM Cc1nc(C(C)C)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000032924083 333033294 /nfs/dbraw/zinc/03/32/94/333033294.db2.gz YGISPAIGTCUTJN-UHFFFAOYSA-N -1 3 308.432 3.940 20 30 DHEDHM CC[C@H](CC#N)NCc1ccc(OCc2ccccc2)cc1[O-] ZINC000184094211 333191731 /nfs/dbraw/zinc/19/17/31/333191731.db2.gz HYNLFHKIRYXRMJ-QGZVFWFLSA-N -1 3 310.397 3.753 20 30 DHEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@H]1COC2(CCCC2)O1 ZINC000271540063 334024341 /nfs/dbraw/zinc/02/43/41/334024341.db2.gz QQCHAMREXDFLBR-SLDJAQPHSA-N -1 3 311.381 3.650 20 30 DHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000340073718 334123628 /nfs/dbraw/zinc/12/36/28/334123628.db2.gz AZVINXBDLHLTQE-NSHDSACASA-N -1 3 311.366 3.655 20 30 DHEDHM CCCOc1ccc(/C=N/Cc2nccc(C(F)F)n2)c([O-])c1 ZINC000287343901 334157496 /nfs/dbraw/zinc/15/74/96/334157496.db2.gz WZUSLVDCJBKDTF-DJKKODMXSA-N -1 3 321.327 3.528 20 30 DHEDHM C[C@@H](/N=C/c1ccccc1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000298632360 334250465 /nfs/dbraw/zinc/25/04/65/334250465.db2.gz GTVCKIKSCDIXSQ-HMHKGCENSA-N -1 3 323.396 3.856 20 30 DHEDHM CCc1nn(C)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000330405350 334778971 /nfs/dbraw/zinc/77/89/71/334778971.db2.gz NIKFLOFWOFVQIZ-UHFFFAOYSA-N -1 3 301.390 3.622 20 30 DHEDHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1c(C)nn(C)c1C ZINC000331224248 334842613 /nfs/dbraw/zinc/84/26/13/334842613.db2.gz BEUBRXAMIZBWBX-CQSZACIVSA-N -1 3 301.390 3.507 20 30 DHEDHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1c(C)nn(C)c1C ZINC000331224247 334842650 /nfs/dbraw/zinc/84/26/50/334842650.db2.gz BEUBRXAMIZBWBX-AWEZNQCLSA-N -1 3 301.390 3.507 20 30 DHEDHM Cc1cn2cc(C(=O)[N-]c3c(C)noc3C3CC3)sc2n1 ZINC000329790825 336082136 /nfs/dbraw/zinc/08/21/36/336082136.db2.gz DBMBIVCEJNDCMW-UHFFFAOYSA-N -1 3 302.359 3.514 20 30 DHEDHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329916093 336095084 /nfs/dbraw/zinc/09/50/84/336095084.db2.gz QCBKMYOQDZMKMH-OQPBUACISA-N -1 3 306.362 3.616 20 30 DHEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000330218009 336125576 /nfs/dbraw/zinc/12/55/76/336125576.db2.gz JBCUXWVGHZBWOI-ZWNOBZJWSA-N -1 3 315.291 3.980 20 30 DHEDHM CC(C)OCc1cc(NC(=O)c2cscc2C#N)ccc1[O-] ZINC000356631989 336556813 /nfs/dbraw/zinc/55/68/13/336556813.db2.gz WHLUSBSVORGZKR-UHFFFAOYSA-N -1 3 316.382 3.503 20 30 DHEDHM CCn1c(C)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190966307 337291826 /nfs/dbraw/zinc/29/18/26/337291826.db2.gz FPPCKUOSUJPVPB-HNNXBMFYSA-N -1 3 318.380 3.558 20 30 DHEDHM Cc1nc(-c2ccccc2)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000193254326 337309558 /nfs/dbraw/zinc/30/95/58/337309558.db2.gz KFRJJQDGJJNIMJ-QGZVFWFLSA-N -1 3 313.360 3.942 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)no1 ZINC000194101623 337461680 /nfs/dbraw/zinc/46/16/80/337461680.db2.gz LGDLEJOGDZPJGK-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM C=CCn1cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430613232 338109790 /nfs/dbraw/zinc/10/97/90/338109790.db2.gz UTMWBGXKBLJOCA-LBPRGKRZSA-N -1 3 313.426 3.918 20 30 DHEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(N(C)C)c2)n1 ZINC000430665810 338110874 /nfs/dbraw/zinc/11/08/74/338110874.db2.gz BTNLXHDNXIDEOJ-AWEZNQCLSA-N -1 3 313.426 3.823 20 30 DHEDHM Cc1sc([N-]C(=O)c2noc3c2C[C@H](C)CC3)c(C#N)c1C ZINC000433576768 338197197 /nfs/dbraw/zinc/19/71/97/338197197.db2.gz VJYXMDKFAFPZLZ-MRVPVSSYSA-N -1 3 315.398 3.602 20 30 DHEDHM C=CCCCCCN(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436533215 338275501 /nfs/dbraw/zinc/27/55/01/338275501.db2.gz XIXKADNPVHVQKV-UHFFFAOYSA-N -1 3 317.429 3.924 20 30 DHEDHM N#C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000436614687 338280081 /nfs/dbraw/zinc/28/00/81/338280081.db2.gz ALWLULXKXGYQKU-ZDUSSCGKSA-N -1 3 321.163 3.694 20 30 DHEDHM Cc1nsc([N-]C(=O)c2oc(-c3ccccc3)nc2C)c1C#N ZINC000439291318 338366196 /nfs/dbraw/zinc/36/61/96/338366196.db2.gz BBFWAHMMKQPZSD-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM Cc1nsc([N-]C(=O)c2ccc(F)c(Cl)c2F)c1C#N ZINC000439292644 338366205 /nfs/dbraw/zinc/36/62/05/338366205.db2.gz IKOADHRJYKAIMC-UHFFFAOYSA-N -1 3 313.716 3.507 20 30 DHEDHM C=CCN(Cc1cc(Cl)c([O-])c(OCC)c1)CC(F)(F)F ZINC000459332711 339022330 /nfs/dbraw/zinc/02/23/30/339022330.db2.gz YYSGCMKIKAVBTI-UHFFFAOYSA-N -1 3 323.742 3.995 20 30 DHEDHM CC(C)(CCC#N)CNCc1cccc([O-])c1Br ZINC000459561870 339035926 /nfs/dbraw/zinc/03/59/26/339035926.db2.gz NPFCWYIAZJULGI-UHFFFAOYSA-N -1 3 311.223 3.574 20 30 DHEDHM C=CCCS(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC000479558431 339541096 /nfs/dbraw/zinc/54/10/96/339541096.db2.gz XGBZXQNKKKSJAY-UHFFFAOYSA-N -1 3 313.728 3.677 20 30 DHEDHM C=CCOc1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000511096502 340320520 /nfs/dbraw/zinc/32/05/20/340320520.db2.gz PRDDEQOAHLMJJK-UHFFFAOYSA-N -1 3 305.324 3.525 20 30 DHEDHM CCCCCc1nnc([N-]C(=O)c2cccc(F)c2C#N)s1 ZINC000186096132 340508140 /nfs/dbraw/zinc/50/81/40/340508140.db2.gz DRVUGEXUTOSZID-UHFFFAOYSA-N -1 3 318.377 3.534 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000129946086 340989279 /nfs/dbraw/zinc/98/92/79/340989279.db2.gz HTRBFSFJVHQLFV-UHFFFAOYSA-N -1 3 310.300 3.852 20 30 DHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000545349600 341122735 /nfs/dbraw/zinc/12/27/35/341122735.db2.gz BFYKBZBRSLKYSK-SECBINFHSA-N -1 3 308.230 3.626 20 30 DHEDHM C=CCN(Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000136239888 341255569 /nfs/dbraw/zinc/25/55/69/341255569.db2.gz GSYDMJWKELWPDA-UHFFFAOYSA-N -1 3 315.800 3.803 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000094068312 341488608 /nfs/dbraw/zinc/48/86/08/341488608.db2.gz GQQGWUVEGBWPMJ-UHFFFAOYSA-N -1 3 322.408 3.877 20 30 DHEDHM CCCc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)o1 ZINC000297790577 535497319 /nfs/dbraw/zinc/49/73/19/535497319.db2.gz ILIFFFRAWBDUAE-UHFFFAOYSA-N -1 3 315.398 3.610 20 30 DHEDHM Cc1ccc(C2CC(N=Nc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000737329290 598296236 /nfs/dbraw/zinc/29/62/36/598296236.db2.gz ITZZRHXCBJEEDE-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM Cc1ccc(C2CC(N=Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000737329290 598296237 /nfs/dbraw/zinc/29/62/37/598296237.db2.gz ITZZRHXCBJEEDE-UHFFFAOYSA-N -1 3 318.384 3.521 20 30 DHEDHM C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736140645 598793110 /nfs/dbraw/zinc/79/31/10/598793110.db2.gz YJKVSYLWXJBRAE-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736140645 598793112 /nfs/dbraw/zinc/79/31/12/598793112.db2.gz YJKVSYLWXJBRAE-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](SCc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736194300 599328287 /nfs/dbraw/zinc/32/82/87/599328287.db2.gz ZLZLMZHYTOMCGN-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](SCc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736194300 599328289 /nfs/dbraw/zinc/32/82/89/599328289.db2.gz ZLZLMZHYTOMCGN-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191007 599330312 /nfs/dbraw/zinc/33/03/12/599330312.db2.gz VGMNYCRBQIBTRA-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191007 599330315 /nfs/dbraw/zinc/33/03/15/599330315.db2.gz VGMNYCRBQIBTRA-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820555311 599344301 /nfs/dbraw/zinc/34/43/01/599344301.db2.gz IVTSVPDVWBRFRE-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820555311 599344303 /nfs/dbraw/zinc/34/43/03/599344303.db2.gz IVTSVPDVWBRFRE-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Nc1cc(Cl)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736134356 599406087 /nfs/dbraw/zinc/40/60/87/599406087.db2.gz CHACTIWUMFSQQU-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736134356 599406088 /nfs/dbraw/zinc/40/60/88/599406088.db2.gz CHACTIWUMFSQQU-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000827716762 601297317 /nfs/dbraw/zinc/29/73/17/601297317.db2.gz AUSDMTYKVBYCIH-BDJLRTHQSA-N -1 3 314.772 3.688 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000826399881 607646726 /nfs/dbraw/zinc/64/67/26/607646726.db2.gz IYPFQMDCRYFBHC-JXMROGBWSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000826399881 607646729 /nfs/dbraw/zinc/64/67/29/607646729.db2.gz IYPFQMDCRYFBHC-JXMROGBWSA-N -1 3 316.320 3.509 20 30 DHEDHM N#Cc1ccc(CN(Cc2cccc(NC(=O)[O-])c2)C2CC2)cc1 ZINC000833971754 605593163 /nfs/dbraw/zinc/59/31/63/605593163.db2.gz MQNQMCPKZUCXGT-UHFFFAOYSA-N -1 3 321.380 3.813 20 30 DHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc2ccccc2o1 ZINC000822922843 606303109 /nfs/dbraw/zinc/30/31/09/606303109.db2.gz KSKSBYWFWGYZAC-WAYWQWQTSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2ccccc2o1 ZINC000822922843 606303110 /nfs/dbraw/zinc/30/31/10/606303110.db2.gz KSKSBYWFWGYZAC-WAYWQWQTSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503375 606388206 /nfs/dbraw/zinc/38/82/06/606388206.db2.gz FECIAZNAQWWREK-BENRWUELSA-N -1 3 322.393 3.531 20 30 DHEDHM Cc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822193386 606389255 /nfs/dbraw/zinc/38/92/55/606389255.db2.gz VTLNNXONSFVMOO-XQRVVYSFSA-N -1 3 324.409 3.750 20 30 DHEDHM C[C@H](CCc1ccccc1)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820220596 606433606 /nfs/dbraw/zinc/43/36/06/606433606.db2.gz WQRQCPUXCHRYJC-CQSZACIVSA-N -1 3 320.400 3.533 20 30 DHEDHM C[C@H](CCc1ccccc1)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820220596 606433608 /nfs/dbraw/zinc/43/36/08/606433608.db2.gz WQRQCPUXCHRYJC-CQSZACIVSA-N -1 3 320.400 3.533 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826305321 608318686 /nfs/dbraw/zinc/31/86/86/608318686.db2.gz RWRMILWKPRQRSU-YUSFRKCESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826305321 608318688 /nfs/dbraw/zinc/31/86/88/608318688.db2.gz RWRMILWKPRQRSU-YUSFRKCESA-N -1 3 316.364 3.559 20 30 DHEDHM CCC(C[C@H](C)CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825082115 608538747 /nfs/dbraw/zinc/53/87/47/608538747.db2.gz QKZRBNJMNAVMLU-SECBINFHSA-N -1 3 321.816 3.529 20 30 DHEDHM CCC(C[C@H](C)CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825082115 608538749 /nfs/dbraw/zinc/53/87/49/608538749.db2.gz QKZRBNJMNAVMLU-SECBINFHSA-N -1 3 321.816 3.529 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826297904 609272161 /nfs/dbraw/zinc/27/21/61/609272161.db2.gz WKCVDQOVSAHTSI-CLFYSBASSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826297904 609272163 /nfs/dbraw/zinc/27/21/63/609272163.db2.gz WKCVDQOVSAHTSI-CLFYSBASSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000826297905 609272351 /nfs/dbraw/zinc/27/23/51/609272351.db2.gz WKCVDQOVSAHTSI-VQHVLOKHSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000826297905 609272352 /nfs/dbraw/zinc/27/23/52/609272352.db2.gz WKCVDQOVSAHTSI-VQHVLOKHSA-N -1 3 322.343 3.519 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000155082839 1013199446 /nfs/dbraw/zinc/19/94/46/1013199446.db2.gz FYXMIXMPLYOBNX-PJRCSUCCSA-N -1 3 324.218 3.531 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000728230763 1013254245 /nfs/dbraw/zinc/25/42/45/1013254245.db2.gz HQCURSWOASULRD-WEVVVXLNSA-N -1 3 304.349 3.782 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000728230667 1013260684 /nfs/dbraw/zinc/26/06/84/1013260684.db2.gz DMYPAHIWNRNTFP-VQHVLOKHSA-N -1 3 304.349 3.782 20 30 DHEDHM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cc([O-])ccc1Cl ZINC000330518867 1013820783 /nfs/dbraw/zinc/82/07/83/1013820783.db2.gz OVTQAJSDBQZOBR-XHDPSFHLSA-N -1 3 311.809 3.682 20 30 DHEDHM Cc1c([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cnn1C ZINC000331233804 1013869566 /nfs/dbraw/zinc/86/95/66/1013869566.db2.gz KFFNQWDJOGPCNV-NSHDSACASA-N -1 3 301.390 3.623 20 30 DHEDHM N#Cc1c(Cl)cccc1SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000579807667 1014316378 /nfs/dbraw/zinc/31/63/78/1014316378.db2.gz NFLUQWDVOZYSGE-UHFFFAOYSA-N -1 3 317.801 3.877 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Oc3ccncc3)cc2)c1O ZINC000255265142 1014551210 /nfs/dbraw/zinc/55/12/10/1014551210.db2.gz TXFTZCODBOGYSV-UHFFFAOYSA-N -1 3 322.320 3.741 20 30 DHEDHM C=CCCC[C@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902326591 980834446 /nfs/dbraw/zinc/83/44/46/980834446.db2.gz HJVXCZFZKFTXOD-KRWDZBQOSA-N -1 3 310.397 3.967 20 30 DHEDHM C=CC[C@@H](NCc1cc(C(=O)[O-])c(C(C)C)[nH]1)c1ccncc1 ZINC001588749495 984065784 /nfs/dbraw/zinc/06/57/84/984065784.db2.gz LENLUYUHDMWMJK-MRXNPFEDSA-N -1 3 313.401 3.638 20 30 DHEDHM CC(C)C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001591207529 992041382 /nfs/dbraw/zinc/04/13/82/992041382.db2.gz PJSGLIKPXDJVGE-CQSZACIVSA-N -1 3 300.402 3.515 20 30 DHEDHM CC(C)CN(Cc1ccoc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC001591342760 992322177 /nfs/dbraw/zinc/32/21/77/992322177.db2.gz JJPPJECGAFZCEA-UHFFFAOYSA-N -1 3 312.369 3.508 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC001593194571 994137870 /nfs/dbraw/zinc/13/78/70/994137870.db2.gz JLDRADRNALWYGA-ORAYPTAESA-N -1 3 320.392 3.912 20 30 DHEDHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)cc2)cc1 ZINC000277498605 1016437687 /nfs/dbraw/zinc/43/76/87/1016437687.db2.gz XNZKSIHBEULGFD-LJQANCHMSA-N -1 3 322.408 3.987 20 30 DHEDHM Cc1coc([N-]C(=O)c2sc(-c3ccccn3)nc2C)c1C#N ZINC001147943159 1032355741 /nfs/dbraw/zinc/35/57/41/1032355741.db2.gz JSHWOKVSJNRQLT-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000773154108 1032582893 /nfs/dbraw/zinc/58/28/93/1032582893.db2.gz RNVRFCSGUJLSSQ-CSKARUKUSA-N -1 3 304.349 3.782 20 30 DHEDHM CC(=O)Nc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000255006277 1012749316 /nfs/dbraw/zinc/74/93/16/1012749316.db2.gz VPIHTEUPOWEVIY-UHFFFAOYSA-N -1 3 306.724 3.894 20 30 DHEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1[O-] ZINC000024034575 1017397625 /nfs/dbraw/zinc/39/76/25/1017397625.db2.gz QJAUNNPEZNAHFS-MRXNPFEDSA-N -1 3 314.772 3.798 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cnc(C(C)C)s2)ccc1[O-] ZINC000125114995 1032701026 /nfs/dbraw/zinc/70/10/26/1032701026.db2.gz XYNFGMAXKOWMII-FNORWQNLSA-N -1 3 303.383 3.877 20 30 DHEDHM CCCCOc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255538341 1017473106 /nfs/dbraw/zinc/47/31/06/1017473106.db2.gz XPEVHZFNHBPNKX-UHFFFAOYSA-N -1 3 301.342 3.733 20 30 DHEDHM CC(=O)N(C)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255559212 1017910993 /nfs/dbraw/zinc/91/09/93/1017910993.db2.gz CWOPACVQHQLYHZ-UHFFFAOYSA-N -1 3 302.761 3.779 20 30 DHEDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000928782235 1018142736 /nfs/dbraw/zinc/14/27/36/1018142736.db2.gz KVIJFNPARXALOD-UHFFFAOYSA-N -1 3 305.284 3.509 20 30 DHEDHM CC(=NNCc1cnc2ccccc2c1)c1ccc([O-])c(F)c1 ZINC000764779812 1018376468 /nfs/dbraw/zinc/37/64/68/1018376468.db2.gz VNASWFDJFHVGAU-UHFFFAOYSA-N -1 3 309.344 3.593 20 30 DHEDHM N#Cc1c(F)cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1F ZINC001239919047 1018786115 /nfs/dbraw/zinc/78/61/15/1018786115.db2.gz WDEMSQFMOZLBLI-UHFFFAOYSA-N -1 3 317.242 3.601 20 30 DHEDHM C[C@@H](CCC#N)Sc1nnc([N-]c2ccccc2F)s1 ZINC000550983504 1019245601 /nfs/dbraw/zinc/24/56/01/1019245601.db2.gz QGUDGJGLKRZDNW-VIFPVBQESA-N -1 3 308.407 4.205 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1[O-] ZINC000727649486 1019746090 /nfs/dbraw/zinc/74/60/90/1019746090.db2.gz KSNQKLRPOQHTKX-UHFFFAOYSA-N -1 3 323.711 3.929 20 30 DHEDHM O=C1CCc2cc(N=Cc3cc(Cl)ccc3[O-])ccc2N1 ZINC000255675494 1020255617 /nfs/dbraw/zinc/25/56/17/1020255617.db2.gz HAUQBTKACZPHGA-UHFFFAOYSA-N -1 3 300.745 3.681 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cscc2C(F)F)nc(C)n1 ZINC000892475545 1020428299 /nfs/dbraw/zinc/42/82/99/1020428299.db2.gz KDYCQIZCJRUUHM-SECBINFHSA-N -1 3 307.325 3.583 20 30 DHEDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c([O-])c1 ZINC000091990233 1020479246 /nfs/dbraw/zinc/47/92/46/1020479246.db2.gz USEFUOWVMGKWTJ-QZTJIDSGSA-N -1 3 320.392 3.613 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CCC2CCCCC2)c1[O-] ZINC000734303297 1020583458 /nfs/dbraw/zinc/58/34/58/1020583458.db2.gz KDDFKIJDFVNGKN-MDBUFAAASA-N -1 3 304.434 3.756 20 30 DHEDHM CC(=O)Nc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000741464327 1021009290 /nfs/dbraw/zinc/00/92/90/1021009290.db2.gz NZBBCKBITPROMU-VCHYOVAHSA-N -1 3 302.761 3.623 20 30 DHEDHM N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2[O-])cc1C#N ZINC001212633331 1032954232 /nfs/dbraw/zinc/95/42/32/1032954232.db2.gz OAXFTNBBDYLBNO-UHFFFAOYSA-N -1 3 303.243 3.898 20 30 DHEDHM C[C@H]1Cc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)ccc2O1 ZINC000659116534 1021178366 /nfs/dbraw/zinc/17/83/66/1021178366.db2.gz ZZMUBIWOTHIGOC-HZMBPMFUSA-N -1 3 324.405 3.834 20 30 DHEDHM COc1ccccc1O[C@@H](C)C/N=C/c1cc(Cl)ccc1[O-] ZINC000743043851 1021208616 /nfs/dbraw/zinc/20/86/16/1021208616.db2.gz BKARUVBTAMTQDC-MKFNJMOCSA-N -1 3 319.788 3.941 20 30 DHEDHM COc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000917558533 1021294881 /nfs/dbraw/zinc/29/48/81/1021294881.db2.gz WOWWEYUCOUISLK-RQZCQDPDSA-N -1 3 320.732 3.582 20 30 DHEDHM N#CC1(CNCc2cccc(Br)c2[O-])CCCCC1 ZINC000850390630 1021504341 /nfs/dbraw/zinc/50/43/41/1021504341.db2.gz LSGMLEYIMRFYNG-UHFFFAOYSA-N -1 3 323.234 3.718 20 30 DHEDHM CC(=CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccco1 ZINC000851108423 1021740795 /nfs/dbraw/zinc/74/07/95/1021740795.db2.gz CSCSJPBDHMZXHG-OBEJXRGXSA-N -1 3 319.360 3.693 20 30 DHEDHM Cc1ccc(CCCC(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901372121 1022090643 /nfs/dbraw/zinc/09/06/43/1022090643.db2.gz RFZYANPYVMCDQW-UHFFFAOYSA-N -1 3 307.390 3.936 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(N3CCCCC3)cc2)c1O ZINC000920942774 1022191989 /nfs/dbraw/zinc/19/19/89/1022191989.db2.gz QCGROFVBHNJUJL-UHFFFAOYSA-N -1 3 312.369 3.544 20 30 DHEDHM COc1ccc(C(C)(C)C)cc1N=Cc1ccc(O)c([O-])c1O ZINC000920942893 1022192330 /nfs/dbraw/zinc/19/23/30/1022192330.db2.gz SSOYJGXNECAMSI-UHFFFAOYSA-N -1 3 315.369 3.860 20 30 DHEDHM CC(=NNc1nc2ccccc2[nH]1)c1ccc([O-])c(Cl)c1 ZINC000768763448 1023013800 /nfs/dbraw/zinc/01/38/00/1023013800.db2.gz GFGIWVWJKUOPNK-UHFFFAOYSA-N -1 3 300.749 3.758 20 30 DHEDHM CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc([O-])c(Cl)c1 ZINC000768763448 1023013813 /nfs/dbraw/zinc/01/38/13/1023013813.db2.gz GFGIWVWJKUOPNK-UHFFFAOYSA-N -1 3 300.749 3.758 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(OC(F)F)cn1 ZINC000772152583 1023523943 /nfs/dbraw/zinc/52/39/43/1023523943.db2.gz BZJRJBLDGXUHHF-FXBPXSCXSA-N -1 3 312.703 3.661 20 30 DHEDHM N#Cc1cc(Cl)ccc1COC(=O)c1cc2occc2[n-]1 ZINC000786029876 1023652943 /nfs/dbraw/zinc/65/29/43/1023652943.db2.gz IRFGDOGIXPUVIL-UHFFFAOYSA-N -1 3 300.701 3.643 20 30 DHEDHM Cc1ccc2nc(/C=C3\C(=O)c4c(c(F)ccc4[O-])[C@@H]3C)cn2c1 ZINC000789130097 1023994394 /nfs/dbraw/zinc/99/43/94/1023994394.db2.gz ZNNRQGALTRMXDL-NUBYWOLOSA-N -1 3 322.339 3.871 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccc(N(C)C(C)C)nc2)ccc1[O-] ZINC000790215106 1024245714 /nfs/dbraw/zinc/24/57/14/1024245714.db2.gz GIVDDWIYIXISTQ-YVMONPNESA-N -1 3 310.397 3.836 20 30 DHEDHM CCc1ccc([C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000068110786 1024555833 /nfs/dbraw/zinc/55/58/33/1024555833.db2.gz DXASTAAHOZEZNI-QMMMGPOBSA-N -1 3 312.295 3.778 20 30 DHEDHM CCc1ccc([C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000068110786 1024555838 /nfs/dbraw/zinc/55/58/38/1024555838.db2.gz DXASTAAHOZEZNI-QMMMGPOBSA-N -1 3 312.295 3.778 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3nccc(C)c3c2)n1 ZINC000353415423 1025059556 /nfs/dbraw/zinc/05/95/56/1025059556.db2.gz ICUPKTQYXPLUNY-CQSZACIVSA-N -1 3 307.378 3.798 20 30 DHEDHM N#CC(=C([O-])c1ccccc1Cc1ccccc1)c1ccncn1 ZINC000354464661 1025435144 /nfs/dbraw/zinc/43/51/44/1025435144.db2.gz KAJGMUCONATCFT-GOSISDBHSA-N -1 3 313.360 3.557 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)Cc1ccccc1-2)c1ccncn1 ZINC000354472352 1025437954 /nfs/dbraw/zinc/43/79/54/1025437954.db2.gz OTXZBZHGCYJKMS-GOSISDBHSA-N -1 3 311.344 3.538 20 30 DHEDHM N#CC(=C([O-])c1ccnc2ccncc21)c1nccc2ccccc21 ZINC000355405427 1025711785 /nfs/dbraw/zinc/71/17/85/1025711785.db2.gz XYRWSVZZWVDDRA-MRXNPFEDSA-N -1 3 324.343 3.668 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CCC1(F)CCC1 ZINC000806551477 1025912937 /nfs/dbraw/zinc/91/29/37/1025912937.db2.gz TYPGHJGLIFJHHF-CXUHLZMHSA-N -1 3 300.171 3.856 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(F)ccc1[O-] ZINC000807989933 1026163638 /nfs/dbraw/zinc/16/36/38/1026163638.db2.gz QHXYXMRTVHBXNH-UHFFFAOYSA-N -1 3 303.293 3.584 20 30 DHEDHM CC(=NNc1nccnc1C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000807992653 1026168843 /nfs/dbraw/zinc/16/88/43/1026168843.db2.gz JCAQQOXERJXEBI-UHFFFAOYSA-N -1 3 318.327 3.564 20 30 DHEDHM C#C[C@@H](NCc1cc(F)ccc1[O-])c1ccc(Cl)cc1F ZINC000809700178 1026588118 /nfs/dbraw/zinc/58/81/18/1026588118.db2.gz ZMLIQDWTJXYNQE-OAHLLOKOSA-N -1 3 307.727 3.788 20 30 DHEDHM COc1c(O)cccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000810239333 1026725809 /nfs/dbraw/zinc/72/58/09/1026725809.db2.gz ZILKPRMQCDPAKW-FJUNDMEASA-N -1 3 314.312 3.629 20 30 DHEDHM Cc1conc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000601134446 1027998034 /nfs/dbraw/zinc/99/80/34/1027998034.db2.gz GQZMXJPMAWQPSE-NSHDSACASA-N -1 3 301.371 3.630 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cocc1C ZINC000528920771 1028931726 /nfs/dbraw/zinc/93/17/26/1028931726.db2.gz ROCTXOUYKGXHEO-HNNXBMFYSA-N -1 3 324.380 3.674 20 30 DHEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1c([O-])cccc1Cl ZINC000816768702 1028997820 /nfs/dbraw/zinc/99/78/20/1028997820.db2.gz CCNUAYIXDHGZAD-ZDUSSCGKSA-N -1 3 312.797 3.955 20 30 DHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C2CCCCC2)c1 ZINC000530141484 1029756048 /nfs/dbraw/zinc/75/60/48/1029756048.db2.gz XWOXIIVPOUZKIV-MRXNPFEDSA-N -1 3 306.431 3.778 20 30 DHEDHM C[C@@H](NCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1[O-] ZINC000866260045 1030185718 /nfs/dbraw/zinc/18/57/18/1030185718.db2.gz ABMOFBJIQAIXIV-LLVKDONJSA-N -1 3 315.442 3.869 20 30 DHEDHM COc1ccc2c(c1)CC/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794933645 1030382820 /nfs/dbraw/zinc/38/28/20/1030382820.db2.gz KJHLTVHWQDXKGH-PKNBQFBNSA-N -1 3 316.303 3.892 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(C)s2)c(OC)cc1[O-] ZINC000122489793 1030730970 /nfs/dbraw/zinc/73/09/70/1030730970.db2.gz QMQOXEKGTYACSZ-VOTSOKGWSA-N -1 3 304.367 3.675 20 30 DHEDHM N#CC1(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 ZINC000843874080 1030877783 /nfs/dbraw/zinc/87/77/83/1030877783.db2.gz BZTYPLXJMUNPPR-UHFFFAOYSA-N -1 3 319.138 3.505 20 30 DHEDHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)on1 ZINC000121910684 1030981306 /nfs/dbraw/zinc/98/13/06/1030981306.db2.gz ONAKOYSZKITEHX-LLVKDONJSA-N -1 3 324.384 3.586 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](CCC)CC2 ZINC000844655177 1031273244 /nfs/dbraw/zinc/27/32/44/1031273244.db2.gz YKQIFCFSTICXEN-MNOVXSKESA-N -1 3 309.435 3.676 20 30 DHEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cccc([O-])c1F ZINC000872347193 1031587651 /nfs/dbraw/zinc/58/76/51/1031587651.db2.gz QYXITNIMVPAJCJ-UHFFFAOYSA-N -1 3 316.336 3.525 20 30 DHEDHM C[C@@H](CC(F)(F)F)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845798 1031729197 /nfs/dbraw/zinc/72/91/97/1031729197.db2.gz ZEVOGTJBXDPJNM-WCQYABFASA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845798 1031729211 /nfs/dbraw/zinc/72/92/11/1031729211.db2.gz ZEVOGTJBXDPJNM-WCQYABFASA-N -1 3 323.314 3.585 20 30 DHEDHM CC[C@H](CC(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845472 1031729774 /nfs/dbraw/zinc/72/97/74/1031729774.db2.gz XWGANZGLRJAUCE-TZMCWYRMSA-N -1 3 319.351 3.678 20 30 DHEDHM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361195357 1031782051 /nfs/dbraw/zinc/78/20/51/1031782051.db2.gz ZTKGMXCZFAXSKL-YPMHNXCESA-N -1 3 321.384 3.529 20 30 DHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C(CC)CC ZINC000361196524 1031783845 /nfs/dbraw/zinc/78/38/45/1031783845.db2.gz YNEXVBSZXPXMPV-AWEZNQCLSA-N -1 3 310.401 3.692 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000846539378 1032005658 /nfs/dbraw/zinc/00/56/58/1032005658.db2.gz VQMJSQSMBDVDCR-UHFFFAOYSA-N -1 3 303.402 3.565 20 30 DHEDHM Cc1cn(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc12 ZINC000065308698 1033890989 /nfs/dbraw/zinc/89/09/89/1033890989.db2.gz NEWUPEMDTZEZFT-UHFFFAOYSA-N -1 3 321.340 3.616 20 30 DHEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)o1 ZINC000128732523 1034500531 /nfs/dbraw/zinc/50/05/31/1034500531.db2.gz RKJSNDAHHWVEJR-MRXNPFEDSA-N -1 3 324.380 3.674 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCOC12CCCC2 ZINC000899231512 1034522986 /nfs/dbraw/zinc/52/29/86/1034522986.db2.gz FPAXVIQDQWJBNK-AYCSXLNKSA-N -1 3 324.218 3.675 20 30 DHEDHM Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C(C)C ZINC000899353348 1034589218 /nfs/dbraw/zinc/58/92/18/1034589218.db2.gz XFPFLOZFMCDBLP-CYBMUJFWSA-N -1 3 309.291 3.572 20 30 DHEDHM Cc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C(C)C ZINC000899350449 1034598355 /nfs/dbraw/zinc/59/83/55/1034598355.db2.gz ZIOLLZTWHBZXHB-CYBMUJFWSA-N -1 3 309.291 3.572 20 30 DHEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128792757 1035231455 /nfs/dbraw/zinc/23/14/55/1035231455.db2.gz GAKYNRCQICSHOH-HNNXBMFYSA-N -1 3 318.332 3.702 20 30 DHEDHM CC(=NNc1cncc(Br)c1)c1ccc([O-])c(F)c1 ZINC000758130449 1035322900 /nfs/dbraw/zinc/32/29/00/1035322900.db2.gz PKRKEXMIHIGPSO-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM O=C([C@H]1C[C@@H]1C(F)F)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181882 1035378446 /nfs/dbraw/zinc/37/84/46/1035378446.db2.gz ZWBIBOVWFQRAAN-UWVGGRQHSA-N -1 3 310.127 3.612 20 30 DHEDHM O=C(c1scnc1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904189796 1035382532 /nfs/dbraw/zinc/38/25/32/1035382532.db2.gz AERJGNYWCRLHEU-UHFFFAOYSA-N -1 3 308.790 3.706 20 30 DHEDHM CC(C)(C)c1nc(C(=O)N([O-])Cc2ccccc2Cl)co1 ZINC000904192700 1035383664 /nfs/dbraw/zinc/38/36/64/1035383664.db2.gz WNXGIASPNMKEHB-UHFFFAOYSA-N -1 3 308.765 3.657 20 30 DHEDHM C=CCCCN(CC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001180033024 1035570266 /nfs/dbraw/zinc/57/02/66/1035570266.db2.gz TYSDKUVTRZEGFV-UHFFFAOYSA-N -1 3 318.804 3.610 20 30 DHEDHM CC[C@@](C)(C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000539842082 1035897777 /nfs/dbraw/zinc/89/77/77/1035897777.db2.gz ZJYDGSJASPUSLB-FQEVSTJZSA-N -1 3 322.408 3.599 20 30 DHEDHM O=C1CCc2cc(F)c(N=Cc3cc(Cl)ccc3[O-])cc2N1 ZINC000914702802 1036252625 /nfs/dbraw/zinc/25/26/25/1036252625.db2.gz NKFVQOTXWKOGNE-UHFFFAOYSA-N -1 3 318.735 3.820 20 30 DHEDHM O=C(CC/N=C/c1cc(Cl)ccc1[O-])OC1CCCCC1 ZINC000800790286 1036551386 /nfs/dbraw/zinc/55/13/86/1036551386.db2.gz HXVPBKGQAILFKF-WOJGMQOQSA-N -1 3 309.793 3.731 20 30 DHEDHM C=C(C)C(C)(C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001183367499 1036586877 /nfs/dbraw/zinc/58/68/77/1036586877.db2.gz HWYHGJOBVORQCR-UHFFFAOYSA-N -1 3 310.357 3.759 20 30 DHEDHM CCCCCCN([O-])C(=O)CO[C@@H]1CCCc2ccccc21 ZINC001184305411 1036793042 /nfs/dbraw/zinc/79/30/42/1036793042.db2.gz IKHYSXPRXJWHQG-QGZVFWFLSA-N -1 3 305.418 3.879 20 30 DHEDHM CCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001184314782 1036796159 /nfs/dbraw/zinc/79/61/59/1036796159.db2.gz KEQZSFNIQZICNT-QWHCGFSZSA-N -1 3 312.207 3.571 20 30 DHEDHM CNc1ccc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001184349118 1036823133 /nfs/dbraw/zinc/82/31/33/1036823133.db2.gz VWLANYDCQZWBBM-UHFFFAOYSA-N -1 3 308.740 3.552 20 30 DHEDHM N#CCSc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153629258 1036888137 /nfs/dbraw/zinc/88/81/37/1036888137.db2.gz PXWBFHVKYKGFHJ-UHFFFAOYSA-N -1 3 318.785 3.914 20 30 DHEDHM C=C1CC(C)(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])C1 ZINC001184791653 1036955648 /nfs/dbraw/zinc/95/56/48/1036955648.db2.gz LMSIEQFMXIERIJ-UHFFFAOYSA-N -1 3 317.385 3.642 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccccc2Cl)c(OC)cc1[O-] ZINC000763105036 1037256766 /nfs/dbraw/zinc/25/67/66/1037256766.db2.gz HZYCUZQMSATIPO-FPLPWBNLSA-N -1 3 318.756 3.959 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(C)cc2C)c(OC)cc1[O-] ZINC000763104190 1037257098 /nfs/dbraw/zinc/25/70/98/1037257098.db2.gz JBRLFPPEKSQQAU-FPLPWBNLSA-N -1 3 312.365 3.922 20 30 DHEDHM Cc1cc([O-])ccc1C(=O)Nc1c(F)cc(C#N)cc1Cl ZINC001186191537 1037331413 /nfs/dbraw/zinc/33/14/13/1037331413.db2.gz HVAGPMIMJCERHP-UHFFFAOYSA-N -1 3 304.708 3.617 20 30 DHEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2 ZINC000915982961 1037630655 /nfs/dbraw/zinc/63/06/55/1037630655.db2.gz KHFWMOIGOZRSQN-OVNPTBDBSA-N -1 3 314.772 3.720 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1nc(C)cnc1Cl ZINC001187994357 1037774092 /nfs/dbraw/zinc/77/40/92/1037774092.db2.gz JIHQLTMXXUAELK-UHFFFAOYSA-N -1 3 319.858 3.541 20 30 DHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cn(C)nc1C ZINC001201830839 1037911268 /nfs/dbraw/zinc/91/12/68/1037911268.db2.gz MQDOOIPGSVODBN-UHFFFAOYSA-N -1 3 315.483 3.611 20 30 DHEDHM COCc1ccc(C(=O)[N-]c2sc3ccccc3c2C#N)o1 ZINC001189258294 1038104120 /nfs/dbraw/zinc/10/41/20/1038104120.db2.gz SEMPXCVBPCKMOO-UHFFFAOYSA-N -1 3 312.350 3.765 20 30 DHEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccccc1-c1ccccc1 ZINC001189696882 1038195004 /nfs/dbraw/zinc/19/50/04/1038195004.db2.gz WFYZVNLROBWKJP-UHFFFAOYSA-N -1 3 304.309 3.857 20 30 DHEDHM N#CCCCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000588631081 1038308092 /nfs/dbraw/zinc/30/80/92/1038308092.db2.gz MZEIJKPVNXOAML-UHFFFAOYSA-N -1 3 311.179 3.567 20 30 DHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC001192182855 1038605878 /nfs/dbraw/zinc/60/58/78/1038605878.db2.gz YYMSBXIUUROBSA-UHFFFAOYSA-N -1 3 319.267 3.509 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)co1 ZINC000591004409 1038742610 /nfs/dbraw/zinc/74/26/10/1038742610.db2.gz JUUROECITKMQGX-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)co1 ZINC000591004407 1038742965 /nfs/dbraw/zinc/74/29/65/1038742965.db2.gz JUUROECITKMQGX-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000599615456 1039228706 /nfs/dbraw/zinc/22/87/06/1039228706.db2.gz ZWPCDJVNSLIWPH-IRXDYDNUSA-N -1 3 320.392 3.613 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000599970784 1039407583 /nfs/dbraw/zinc/40/75/83/1039407583.db2.gz ZNFOOFQFGRQULK-INIZCTEOSA-N -1 3 308.381 3.866 20 30 DHEDHM N#CCOc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000171389525 1039470597 /nfs/dbraw/zinc/47/05/97/1039470597.db2.gz PLMRWWPNLPQRFO-YBFXNURJSA-N -1 3 300.745 3.567 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2c(c1)ncn2C ZINC000761200266 1040579905 /nfs/dbraw/zinc/57/99/05/1040579905.db2.gz OLHFALPAJPQMKC-BZPKPHBRSA-N -1 3 322.339 3.801 20 30 DHEDHM C=CCc1cccc(C(C)C)c1NC(=O)[N-]OC[C@H]1CCOC1 ZINC000191498991 334998339 /nfs/dbraw/zinc/99/83/39/334998339.db2.gz JKNBQPHEORCDMQ-AWEZNQCLSA-N -1 3 318.417 3.628 20 30 DHEDHM Cc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC000417605970 335006795 /nfs/dbraw/zinc/00/67/95/335006795.db2.gz ZTPDURHOHFNRMG-SFHVURJKSA-N -1 3 308.381 3.562 20 30 DHEDHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000272484443 130034895 /nfs/dbraw/zinc/03/48/95/130034895.db2.gz QZUNMWKSZMPNGQ-AWEZNQCLSA-N -1 3 308.381 3.796 20 30 DHEDHM Cc1nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c(C)o1 ZINC000297662156 132027897 /nfs/dbraw/zinc/02/78/97/132027897.db2.gz GXAGGPSQNGXXBY-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM CCc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)o1 ZINC000297734408 132031293 /nfs/dbraw/zinc/03/12/93/132031293.db2.gz DZDUCXQOGBEAAM-UHFFFAOYSA-N -1 3 315.398 3.610 20 30 DHEDHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1[O-] ZINC000181233398 332187353 /nfs/dbraw/zinc/18/73/53/332187353.db2.gz OHAWATJJSBNWKS-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM C[C@H](CC#N)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179542075 333025603 /nfs/dbraw/zinc/02/56/03/333025603.db2.gz NFADNBVIOZFWFW-CYBMUJFWSA-N -1 3 310.353 3.559 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(C#N)c2)CC)n1 ZINC000193619519 333304802 /nfs/dbraw/zinc/30/48/02/333304802.db2.gz AHKIGMSFOIDXLF-ZROIWOOFSA-N -1 3 323.396 3.553 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 ZINC000411008280 333620156 /nfs/dbraw/zinc/62/01/56/333620156.db2.gz HZMACVLXHQDIIY-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1c(Cl)cccc1Cl ZINC000264986858 333961379 /nfs/dbraw/zinc/96/13/79/333961379.db2.gz QMGXHELBRRWMAX-QMMMGPOBSA-N -1 3 311.090 3.627 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCOC2(CCC2)C1 ZINC000269027473 333997378 /nfs/dbraw/zinc/99/73/78/333997378.db2.gz KRWVYHFLFHQFHD-VGSSETLESA-N -1 3 324.218 3.675 20 30 DHEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])[C@H]1CCCCO1 ZINC000271969477 334029270 /nfs/dbraw/zinc/02/92/70/334029270.db2.gz WJGIFQVOPNOGGV-MEFSUFTNSA-N -1 3 312.207 3.531 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000340073717 334123469 /nfs/dbraw/zinc/12/34/69/334123469.db2.gz AZVINXBDLHLTQE-LLVKDONJSA-N -1 3 311.366 3.655 20 30 DHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000340109346 334128339 /nfs/dbraw/zinc/12/83/39/334128339.db2.gz UUZQSHMZKZWXFN-NSHDSACASA-N -1 3 311.366 3.798 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H](C1CC1)C(F)(F)F ZINC000287050955 334156091 /nfs/dbraw/zinc/15/60/91/334156091.db2.gz IQPJRXSVHVHOKL-LDFGVUFUSA-N -1 3 322.124 3.915 20 30 DHEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1Cl ZINC000340327854 334170050 /nfs/dbraw/zinc/17/00/50/334170050.db2.gz XZPKXKXQGVBWOQ-CQSZACIVSA-N -1 3 321.163 3.694 20 30 DHEDHM CCOc1cc(CN2CCC(C)(C#N)CC2)cc(Cl)c1[O-] ZINC000297615879 334242709 /nfs/dbraw/zinc/24/27/09/334242709.db2.gz KYUXOCLMOIVFLC-UHFFFAOYSA-N -1 3 308.809 3.570 20 30 DHEDHM Cc1csc([N-]C(=O)c2cnc(-c3ccco3)s2)c1C#N ZINC000344932113 335286132 /nfs/dbraw/zinc/28/61/32/335286132.db2.gz VILDGBCZJDKBLM-UHFFFAOYSA-N -1 3 315.379 3.897 20 30 DHEDHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000344931833 335286179 /nfs/dbraw/zinc/28/61/79/335286179.db2.gz UTNPSUNANFLIHG-VIFPVBQESA-N -1 3 321.427 3.735 20 30 DHEDHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1csc(=O)[n-]1 ZINC000329929443 336096479 /nfs/dbraw/zinc/09/64/79/336096479.db2.gz YUUQAAOVFCMRHZ-UHFFFAOYSA-N -1 3 306.362 3.762 20 30 DHEDHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1csc(=O)[n-]1)CC2 ZINC000329949836 336098938 /nfs/dbraw/zinc/09/89/38/336098938.db2.gz BXEDRVFMAKPBCC-CYBMUJFWSA-N -1 3 302.399 3.964 20 30 DHEDHM Cc1ccc(C2(CNC(=O)c3csc(=O)[n-]3)CCC2)cc1C ZINC000329976634 336101917 /nfs/dbraw/zinc/10/19/17/336101917.db2.gz YVRCXFFYSRLHNT-UHFFFAOYSA-N -1 3 316.426 3.892 20 30 DHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000353168987 336405496 /nfs/dbraw/zinc/40/54/96/336405496.db2.gz NQEZAMDRNPLLGT-LBPRGKRZSA-N -1 3 311.378 3.513 20 30 DHEDHM N#Cc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000357412132 336584528 /nfs/dbraw/zinc/58/45/28/336584528.db2.gz PMCAWTOVJWCEKS-QGOAFFKASA-N -1 3 313.360 3.837 20 30 DHEDHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000357446506 336585468 /nfs/dbraw/zinc/58/54/68/336585468.db2.gz XCFCYRBQNQLTSI-ZDUSSCGKSA-N -1 3 321.163 3.694 20 30 DHEDHM Cc1cc(OC(F)F)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000114617824 336625830 /nfs/dbraw/zinc/62/58/30/336625830.db2.gz JWVMZBOPKGVGKH-SECBINFHSA-N -1 3 308.309 3.543 20 30 DHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000372095970 336921966 /nfs/dbraw/zinc/92/19/66/336921966.db2.gz QQJZWSFTAPTYJX-GFCCVEGCSA-N -1 3 311.385 3.698 20 30 DHEDHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc(Cl)c1Cl ZINC000182407528 337188263 /nfs/dbraw/zinc/18/82/63/337188263.db2.gz FJGHQTVPIIUVMS-CYBMUJFWSA-N -1 3 321.163 3.694 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1cnc2ccccc2n1 ZINC000190941452 337291663 /nfs/dbraw/zinc/29/16/63/337291663.db2.gz IYGCUOCLXGGKTB-MRXNPFEDSA-N -1 3 313.360 3.609 20 30 DHEDHM N#CC(=C([O-])c1cccc2c1CCC2)c1cnc2ccccc2n1 ZINC000190978608 337291904 /nfs/dbraw/zinc/29/19/04/337291904.db2.gz AODNGGPSLJISQO-INIZCTEOSA-N -1 3 313.360 3.609 20 30 DHEDHM C=CCC(CC=C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000123269581 337963195 /nfs/dbraw/zinc/96/31/95/337963195.db2.gz DPSDTJSWDSOLKR-UHFFFAOYSA-N -1 3 310.191 3.862 20 30 DHEDHM C=CCn1cccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430613231 338109815 /nfs/dbraw/zinc/10/98/15/338109815.db2.gz UTMWBGXKBLJOCA-GFCCVEGCSA-N -1 3 313.426 3.918 20 30 DHEDHM C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1SCC ZINC000431186115 338125344 /nfs/dbraw/zinc/12/53/44/338125344.db2.gz DSAZEWHUIHXLOX-UHFFFAOYSA-N -1 3 305.852 3.770 20 30 DHEDHM N#Cc1csc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432710232 338163778 /nfs/dbraw/zinc/16/37/78/338163778.db2.gz VSCKQOAAPJZJDM-GDNBJRDFSA-N -1 3 319.389 3.899 20 30 DHEDHM C=CCOc1cc(OC)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436561419 338277064 /nfs/dbraw/zinc/27/70/64/338277064.db2.gz BYBGYSMSFFLWEZ-UHFFFAOYSA-N -1 3 324.336 3.683 20 30 DHEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436563960 338277194 /nfs/dbraw/zinc/27/71/94/338277194.db2.gz GBLLRFDPOVRHNH-UHFFFAOYSA-N -1 3 302.418 3.918 20 30 DHEDHM N#Cc1cc(F)cc(C2(c3nc(-c4ccc([O-])cc4)no3)CC2)c1 ZINC000436678602 338282426 /nfs/dbraw/zinc/28/24/26/338282426.db2.gz CSAPPOVKABNHKA-UHFFFAOYSA-N -1 3 321.311 3.533 20 30 DHEDHM N#Cc1ccc(SCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000436709454 338283672 /nfs/dbraw/zinc/28/36/72/338283672.db2.gz XOQXSFZEVSCSBX-UHFFFAOYSA-N -1 3 309.350 3.606 20 30 DHEDHM N#C[C@H](NC(=O)c1ccccc1[O-])c1cccc(Cl)c1Cl ZINC000436718792 338284043 /nfs/dbraw/zinc/28/40/43/338284043.db2.gz MSKNKFKTPQFEBK-LBPRGKRZSA-N -1 3 321.163 3.694 20 30 DHEDHM Cc1nsc([N-]C(=O)Nc2cccc(OC(C)C)c2)c1C#N ZINC000459559213 339035726 /nfs/dbraw/zinc/03/57/26/339035726.db2.gz IOXGBKJZCDJJTA-UHFFFAOYSA-N -1 3 316.386 3.754 20 30 DHEDHM Cc1ccc(C#N)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468988869 339276952 /nfs/dbraw/zinc/27/69/52/339276952.db2.gz PGJYNKCYJMVMMP-UHFFFAOYSA-N -1 3 312.344 3.673 20 30 DHEDHM Cc1cc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)ccc1[O-] ZINC000500019323 340048688 /nfs/dbraw/zinc/04/86/88/340048688.db2.gz OMDYUXXVCMXGID-KRWDZBQOSA-N -1 3 322.408 3.993 20 30 DHEDHM Cc1c(C#N)cccc1NCc1cc([O-])ccc1Br ZINC000500761565 340066758 /nfs/dbraw/zinc/06/67/58/340066758.db2.gz DZOZDUHQMJBTJN-UHFFFAOYSA-N -1 3 317.186 3.947 20 30 DHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(CC)ccc1[O-] ZINC000133031461 341152217 /nfs/dbraw/zinc/15/22/17/341152217.db2.gz VGWGXTPNVGSLHT-UHFFFAOYSA-N -1 3 320.392 3.655 20 30 DHEDHM N#Cc1cccc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)c1 ZINC000133567004 341178446 /nfs/dbraw/zinc/17/84/46/341178446.db2.gz ODMPBIOJQFTABI-UHFFFAOYSA-N -1 3 322.755 3.854 20 30 DHEDHM O=C(Cc1c(F)cccc1Cl)Nc1nnc(-c2ccco2)[n-]1 ZINC000078868626 341248617 /nfs/dbraw/zinc/24/86/17/341248617.db2.gz YMRZFOPREISXQK-UHFFFAOYSA-N -1 3 320.711 3.688 20 30 DHEDHM O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccco2)n[n-]1 ZINC000078868626 341248618 /nfs/dbraw/zinc/24/86/18/341248618.db2.gz YMRZFOPREISXQK-UHFFFAOYSA-N -1 3 320.711 3.688 20 30 DHEDHM O=C(Cc1c(F)cccc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868626 341248619 /nfs/dbraw/zinc/24/86/19/341248619.db2.gz YMRZFOPREISXQK-UHFFFAOYSA-N -1 3 320.711 3.688 20 30 DHEDHM C[C@@H]1CC(=Cc2cc(-c3nnn[n-]3)cs2)C(=O)c2ccccc21 ZINC000824860545 607681165 /nfs/dbraw/zinc/68/11/65/607681165.db2.gz VNFSTDQRRDDPGJ-PAKSIRSJSA-N -1 3 322.393 3.702 20 30 DHEDHM C[C@@H]1CC(=Cc2cc(-c3nn[n-]n3)cs2)C(=O)c2ccccc21 ZINC000824860545 607681167 /nfs/dbraw/zinc/68/11/67/607681167.db2.gz VNFSTDQRRDDPGJ-PAKSIRSJSA-N -1 3 322.393 3.702 20 30 DHEDHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccccc1C#N ZINC000829027498 604650698 /nfs/dbraw/zinc/65/06/98/604650698.db2.gz NVFSSTXPTQUCNQ-GOSISDBHSA-N -1 3 308.381 3.596 20 30 DHEDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000820556174 607011838 /nfs/dbraw/zinc/01/18/38/607011838.db2.gz SKSQPRMJPXORQA-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000820556174 607011839 /nfs/dbraw/zinc/01/18/39/607011839.db2.gz SKSQPRMJPXORQA-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826305318 608318981 /nfs/dbraw/zinc/31/89/81/608318981.db2.gz RWRMILWKPRQRSU-HMHNVIDESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826305318 608318982 /nfs/dbraw/zinc/31/89/82/608318982.db2.gz RWRMILWKPRQRSU-HMHNVIDESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826281502 608877272 /nfs/dbraw/zinc/87/72/72/608877272.db2.gz VOUPRYIGUHCXGT-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826281502 608877274 /nfs/dbraw/zinc/87/72/74/608877274.db2.gz VOUPRYIGUHCXGT-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826266472 609505090 /nfs/dbraw/zinc/50/50/90/609505090.db2.gz PSWDXOHVBKJFSZ-SOFGYWHQSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826266472 609505092 /nfs/dbraw/zinc/50/50/92/609505092.db2.gz PSWDXOHVBKJFSZ-SOFGYWHQSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2c(Cl)nc3ccccn32)ccc1[O-] ZINC000728232468 1013305242 /nfs/dbraw/zinc/30/52/42/1013305242.db2.gz UCKBUEJSVRBSFW-SOFGYWHQSA-N -1 3 312.756 3.898 20 30 DHEDHM CCOc1ccc(N(CCC#N)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000155527719 1013896814 /nfs/dbraw/zinc/89/68/14/1013896814.db2.gz SWQBXTKNGYWZBV-UHFFFAOYSA-N -1 3 324.380 3.660 20 30 DHEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000659801187 975891672 /nfs/dbraw/zinc/89/16/72/975891672.db2.gz BDNJVZAIFUHPKY-CALCHBBNSA-N -1 3 324.380 3.723 20 30 DHEDHM N#CC(=C([O-])c1ccncc1Oc1ccccc1)c1ccccn1 ZINC000442097783 1014629313 /nfs/dbraw/zinc/62/93/13/1014629313.db2.gz XVIBBYXGESSZAU-MRXNPFEDSA-N -1 3 315.332 3.759 20 30 DHEDHM CC[C@@H](C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255302330 1014832008 /nfs/dbraw/zinc/83/20/08/1014832008.db2.gz RVCAKQMDZLYSTE-LLVKDONJSA-N -1 3 301.342 3.731 20 30 DHEDHM C#C[C@H](N[C@@H]1CCC[C@H](CCCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001588377589 983357889 /nfs/dbraw/zinc/35/78/89/983357889.db2.gz NIKHDDMERIANGP-OLMNPRSZSA-N -1 3 317.404 3.903 20 30 DHEDHM CC(C)Cc1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC001171255270 1032106227 /nfs/dbraw/zinc/10/62/27/1032106227.db2.gz DFQICBGZSJVAHU-UHFFFAOYSA-N -1 3 322.408 3.800 20 30 DHEDHM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(C#N)c1 ZINC001593292985 994681068 /nfs/dbraw/zinc/68/10/68/994681068.db2.gz RAOJWFCJLHYFND-NSHDSACASA-N -1 3 314.772 3.761 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])c(F)c1 ZINC000728429532 1016096154 /nfs/dbraw/zinc/09/61/54/1016096154.db2.gz JFVJZZRCHXPLGU-UHFFFAOYSA-N -1 3 323.711 3.929 20 30 DHEDHM C=CCCC1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000476460543 1032197640 /nfs/dbraw/zinc/19/76/40/1032197640.db2.gz NGIXTCSZFDZGDT-UHFFFAOYSA-N -1 3 310.191 3.840 20 30 DHEDHM CCO[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)C1=CCCC1 ZINC000073075540 1017134784 /nfs/dbraw/zinc/13/47/84/1017134784.db2.gz PBWBJJXTDDULEL-CYBMUJFWSA-N -1 3 316.361 3.558 20 30 DHEDHM C=CCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000447940574 1018502589 /nfs/dbraw/zinc/50/25/89/1018502589.db2.gz IBYSKNPRQSELJP-UHFFFAOYSA-N -1 3 308.230 3.546 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)ccc1[O-] ZINC000213713617 1019069284 /nfs/dbraw/zinc/06/92/84/1019069284.db2.gz LPMQYGAEZOGMBB-ALCCZGGFSA-N -1 3 313.309 3.514 20 30 DHEDHM CSC1(C/N=C\c2cc(Br)ccc2[O-])CCC1 ZINC000588610401 1019611657 /nfs/dbraw/zinc/61/16/57/1019611657.db2.gz DATHXKDLRGJYGU-NVNXTCNLSA-N -1 3 314.248 3.859 20 30 DHEDHM CC(=NNc1ccc(Br)cn1)c1ccc(F)cc1[O-] ZINC000727778805 1019780286 /nfs/dbraw/zinc/78/02/86/1019780286.db2.gz HEPMIMTZWLRUML-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM CC(N=Nc1ccc(Br)cn1)c1ccc(F)cc1[O-] ZINC000727778805 1019780305 /nfs/dbraw/zinc/78/03/05/1019780305.db2.gz HEPMIMTZWLRUML-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM [O-]c1cccc(Cl)c1C=NNCc1cccc2cccnc21 ZINC000755645626 1019901604 /nfs/dbraw/zinc/90/16/04/1019901604.db2.gz UXNZKYYBLVHDCY-UHFFFAOYSA-N -1 3 311.772 3.718 20 30 DHEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc([O-])cc1F ZINC000729932068 1019924542 /nfs/dbraw/zinc/92/45/42/1019924542.db2.gz BJIZOEHTGXZUGO-UHFFFAOYSA-N -1 3 317.389 3.550 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc(OCC#N)c1 ZINC000730151846 1019953406 /nfs/dbraw/zinc/95/34/06/1019953406.db2.gz RDLNWWROVZDKTF-IWQAVIMZSA-N -1 3 323.323 3.817 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@]1(O)CCCc2ccccc21 ZINC000731320207 1020090013 /nfs/dbraw/zinc/09/00/13/1020090013.db2.gz XBCKKGWSPRQBAQ-JLWFYQMASA-N -1 3 315.800 3.689 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000179390323 1020336170 /nfs/dbraw/zinc/33/61/70/1020336170.db2.gz RFUXYGNTBMDQKF-UHFFFAOYSA-N -1 3 320.392 3.631 20 30 DHEDHM Cc1noc(C)c1[C@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000733749982 1020437739 /nfs/dbraw/zinc/43/77/39/1020437739.db2.gz HPPKIFWHVNZJND-RBYRDDOMSA-N -1 3 323.190 3.940 20 30 DHEDHM Cc1ncc2c(n1)CCC[C@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000734753333 1020652994 /nfs/dbraw/zinc/65/29/94/1020652994.db2.gz SJMYKSCCNMNRCM-VLUPQXHSSA-N -1 3 301.777 3.641 20 30 DHEDHM CCc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000735790638 1020767069 /nfs/dbraw/zinc/76/70/69/1020767069.db2.gz OGSFQHBSBYYRDZ-GFCCVEGCSA-N -1 3 309.394 3.985 20 30 DHEDHM COc1ccc(CCNN=C(C)c2cc(Cl)ccc2[O-])cc1 ZINC000737441258 1021038230 /nfs/dbraw/zinc/03/82/30/1021038230.db2.gz ZYIVETMZAIJVSR-UHFFFAOYSA-N -1 3 318.804 3.611 20 30 DHEDHM Cc1cc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)ccc1[O-] ZINC000742435675 1021124540 /nfs/dbraw/zinc/12/45/40/1021124540.db2.gz ZZHPRMHWOIGBGR-NTMALXAHSA-N -1 3 304.349 3.987 20 30 DHEDHM COc1cccc(CC/N=C/c2cc(Cl)ccc2[O-])c1OC ZINC000917556536 1021301047 /nfs/dbraw/zinc/30/10/47/1021301047.db2.gz CELIDTNPZJSESY-YBFXNURJSA-N -1 3 319.788 3.724 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)ccc1[O-] ZINC000728697146 1021672702 /nfs/dbraw/zinc/67/27/02/1021672702.db2.gz DKRCHJOXFBJNOT-VYLZPFMQSA-N -1 3 307.349 3.888 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000162315535 1022355656 /nfs/dbraw/zinc/35/56/56/1022355656.db2.gz YIVDHOIYZPDEQT-NCUOGEFLSA-N -1 3 305.805 3.812 20 30 DHEDHM C#CCCN(Cc1c([O-])ccc2ccccc21)CC(F)(F)F ZINC000767501002 1022724823 /nfs/dbraw/zinc/72/48/23/1022724823.db2.gz IHDYVDSTMOXOQY-UHFFFAOYSA-N -1 3 307.315 3.933 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000856033054 1022740590 /nfs/dbraw/zinc/74/05/90/1022740590.db2.gz XIBPPFMMXDCMNM-NSHDSACASA-N -1 3 312.207 3.567 20 30 DHEDHM CC(N=Nc1cccc(C(F)(F)F)n1)c1sccc1[O-] ZINC000769788869 1023213803 /nfs/dbraw/zinc/21/38/03/1023213803.db2.gz CENQZVUMIYBDGB-UHFFFAOYSA-N -1 3 301.293 3.704 20 30 DHEDHM CC1(C)C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000124148107 1023306350 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N#Cc1cnoc1[N-]C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001190399899 1038306472 /nfs/dbraw/zinc/30/64/72/1038306472.db2.gz MREPHWUNGRKLBC-UHFFFAOYSA-N -1 3 320.308 3.983 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)CC1 ZINC001190805304 1038387068 /nfs/dbraw/zinc/38/70/68/1038387068.db2.gz GLXPTHGQZFALSX-UHFFFAOYSA-N -1 3 321.442 3.858 20 30 DHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCc2ccccc21 ZINC000045571202 1038505073 /nfs/dbraw/zinc/50/50/73/1038505073.db2.gz BFWUDCLJGXJABT-SNVBAGLBSA-N -1 3 310.279 3.532 20 30 DHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCc2ccccc21 ZINC000045571202 1038505076 /nfs/dbraw/zinc/50/50/76/1038505076.db2.gz BFWUDCLJGXJABT-SNVBAGLBSA-N -1 3 310.279 3.532 20 30 DHEDHM N#Cc1cc(NC(=O)c2cncc(-c3cccs3)c2)ccc1[O-] ZINC001191824428 1038554253 /nfs/dbraw/zinc/55/42/53/1038554253.db2.gz GEDBIDLICQDMLC-UHFFFAOYSA-N -1 3 321.361 3.640 20 30 DHEDHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000591384890 1038828500 /nfs/dbraw/zinc/82/85/00/1038828500.db2.gz YWLYVUQWKKBAPO-LLVKDONJSA-N -1 3 311.410 3.926 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc3c(c2)CCCC3)c1[O-] ZINC000761015557 1039475473 /nfs/dbraw/zinc/47/54/73/1039475473.db2.gz NJZVRVOUOTXQIZ-BTXKWLAHSA-N -1 3 324.424 3.647 20 30 DHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000602344043 1040988266 /nfs/dbraw/zinc/98/82/66/1040988266.db2.gz SSDUUVVLZDWFTE-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCOc1ccccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417628754 335018048 /nfs/dbraw/zinc/01/80/48/335018048.db2.gz WMLHDLOMQSCTQG-ZWKOTPCHSA-N -1 3 323.392 3.654 20 30 DHEDHM C=CCOc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417629341 335018338 /nfs/dbraw/zinc/01/83/38/335018338.db2.gz WZJJAKMCJCKJST-RTBURBONSA-N -1 3 323.392 3.654 20 30 DHEDHM N#Cc1c2c(sc1[N-]C(=O)c1ncoc1C1CC1)CCCC2 ZINC000297759176 132032413 /nfs/dbraw/zinc/03/24/13/132032413.db2.gz GNOKXFQYXDMMLW-UHFFFAOYSA-N -1 3 313.382 3.616 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(CC3CC3)nc2C)s1 ZINC000530497337 331496856 /nfs/dbraw/zinc/49/68/56/331496856.db2.gz MMMFCEBBVWRXRT-UHFFFAOYSA-N -1 3 315.398 3.683 20 30 DHEDHM C=CC[C@@H](CC)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000410122215 332091144 /nfs/dbraw/zinc/09/11/44/332091144.db2.gz YRDYDQKVLZQAPQ-QGZVFWFLSA-N -1 3 323.392 3.708 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000293434584 335105987 /nfs/dbraw/zinc/10/59/87/335105987.db2.gz OBNNYYVLNUNAKS-JTQLQIEISA-N -1 3 313.348 3.506 20 30 DHEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NOC/C=C/Cl)s1 ZINC000497172334 333201688 /nfs/dbraw/zinc/20/16/88/333201688.db2.gz YSQYUAOTYWHSLU-YEHBLRAPSA-N -1 3 317.798 3.593 20 30 DHEDHM N#CCCCOc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184140110 333342383 /nfs/dbraw/zinc/34/23/83/333342383.db2.gz LQWKZSXOZFHFQD-UHFFFAOYSA-N -1 3 300.333 3.826 20 30 DHEDHM CCc1nc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)co1 ZINC000411004980 333617053 /nfs/dbraw/zinc/61/70/53/333617053.db2.gz DQYXCGGGUGCIRZ-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM Cc1nc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c(C)o1 ZINC000294196413 334206823 /nfs/dbraw/zinc/20/68/23/334206823.db2.gz VEOHQQGIFAZSRX-JTQLQIEISA-N -1 3 315.398 3.938 20 30 DHEDHM CCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c([O-])c1 ZINC000189258594 334890795 /nfs/dbraw/zinc/89/07/95/334890795.db2.gz IFTWLHHWBBTDAG-UHFFFAOYSA-N -1 3 320.392 3.631 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(C(C)C)n3)nc21 ZINC000345368619 335320917 /nfs/dbraw/zinc/32/09/17/335320917.db2.gz GJKLNRUUDHRXIJ-NSHDSACASA-N -1 3 324.409 3.941 20 30 DHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3csc(C(C)C)n3)[nH]c21 ZINC000345368619 335320919 /nfs/dbraw/zinc/32/09/19/335320919.db2.gz GJKLNRUUDHRXIJ-NSHDSACASA-N -1 3 324.409 3.941 20 30 DHEDHM Cc1cccc(C2(NC(=O)c3csc(=O)[n-]3)CCCC2)c1 ZINC000329896543 336093293 /nfs/dbraw/zinc/09/32/93/336093293.db2.gz COVBWIQTMVXZQD-UHFFFAOYSA-N -1 3 302.399 3.931 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1cc([O-])cc(F)c1 ZINC000352010432 336188447 /nfs/dbraw/zinc/18/84/47/336188447.db2.gz DNVAOACFEOVGPT-UHFFFAOYSA-N -1 3 301.361 3.728 20 30 DHEDHM N#Cc1ccc(CNCc2ccc([O-])c(F)c2)c(C(F)(F)F)c1 ZINC000352812242 336246095 /nfs/dbraw/zinc/24/60/95/336246095.db2.gz WUMTVJPRWNKFFO-UHFFFAOYSA-N -1 3 324.277 3.712 20 30 DHEDHM N#Cc1cc(Sc2cccc([O-])c2)nc2ccc([N+](=O)[O-])cc12 ZINC000302711800 336366016 /nfs/dbraw/zinc/36/60/16/336366016.db2.gz ZPXPHQLGKCGENL-UHFFFAOYSA-N -1 3 323.333 3.871 20 30 DHEDHM Cc1cc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccc1[O-] ZINC000354627376 336476987 /nfs/dbraw/zinc/47/69/87/336476987.db2.gz JYVMALPDOQOOTA-UHFFFAOYSA-N -1 3 318.376 3.502 20 30 DHEDHM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]c1nncs1 ZINC000021214796 336898575 /nfs/dbraw/zinc/89/85/75/336898575.db2.gz NGQLFEUCXGVTCD-UHFFFAOYSA-N -1 3 320.374 3.745 20 30 DHEDHM C=CCC1(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CCC1 ZINC000375488599 337011971 /nfs/dbraw/zinc/01/19/71/337011971.db2.gz SKUURQHFLSFVHL-UHFFFAOYSA-N -1 3 323.396 3.843 20 30 DHEDHM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1ccccn1 ZINC000181410582 337183943 /nfs/dbraw/zinc/18/39/43/337183943.db2.gz SJHKINKGBMHAIB-AWEZNQCLSA-N -1 3 303.321 3.535 20 30 DHEDHM CCOc1cc(-c2noc(-c3ccc(CC#N)cc3)n2)ccc1[O-] ZINC000445428076 337728417 /nfs/dbraw/zinc/72/84/17/337728417.db2.gz SDIAWZXUVVBWHG-UHFFFAOYSA-N -1 3 321.336 3.574 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(F)F)cc2)nc(C)n1 ZINC000429681303 338087050 /nfs/dbraw/zinc/08/70/50/338087050.db2.gz VQCOBFNPMVFNCK-CQSZACIVSA-N -1 3 315.323 3.695 20 30 DHEDHM CC(C)c1csc(C(C#N)=C([O-])c2cccc(N(C)C)c2)n1 ZINC000430665811 338110767 /nfs/dbraw/zinc/11/07/67/338110767.db2.gz BTNLXHDNXIDEOJ-CQSZACIVSA-N -1 3 313.426 3.823 20 30 DHEDHM Cc1cccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1[O-] ZINC000436542747 338276388 /nfs/dbraw/zinc/27/63/88/338276388.db2.gz BAAXHSUVEXKBCN-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cn1 ZINC000436622494 338280280 /nfs/dbraw/zinc/28/02/80/338280280.db2.gz ZODWKSYQPVAFIA-UHFFFAOYSA-N -1 3 314.304 3.529 20 30 DHEDHM C=CC[C@H](C)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436976565 338296491 /nfs/dbraw/zinc/29/64/91/338296491.db2.gz BYSMIPLCVWWWGV-AWEZNQCLSA-N -1 3 311.381 3.666 20 30 DHEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000438178844 338335083 /nfs/dbraw/zinc/33/50/83/338335083.db2.gz WVABDMVKGIWTJQ-CQSZACIVSA-N -1 3 317.307 3.578 20 30 DHEDHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccc(C#N)c1 ZINC000462245744 339075000 /nfs/dbraw/zinc/07/50/00/339075000.db2.gz KWQYATXPQXWYJU-JTQLQIEISA-N -1 3 300.745 3.659 20 30 DHEDHM C=C(C)[C@H](NCc1nc(C)ccc1[O-])c1ccc(F)c(F)c1 ZINC000479421718 339534187 /nfs/dbraw/zinc/53/41/87/339534187.db2.gz RSZBJLUXQFTUTG-KRWDZBQOSA-N -1 3 304.340 3.781 20 30 DHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cscc2C#N)c1 ZINC000485536631 339705131 /nfs/dbraw/zinc/70/51/31/339705131.db2.gz LRAQRXWZEOFVBZ-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000131025026 341056492 /nfs/dbraw/zinc/05/64/92/341056492.db2.gz UVSQPVIHZJLFOX-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)ccc2Cl)c(F)c1 ZINC000132253181 341119371 /nfs/dbraw/zinc/11/93/71/341119371.db2.gz BCVBPHQYFBQECU-UHFFFAOYSA-N -1 3 310.662 3.881 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)o1 ZINC000081369457 341287602 /nfs/dbraw/zinc/28/76/02/341287602.db2.gz COGIYLZDUGYBGL-SNVBAGLBSA-N -1 3 315.398 3.938 20 30 DHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000826400539 607647210 /nfs/dbraw/zinc/64/72/10/607647210.db2.gz AYDONGZYQNOYEB-HJWRWDBZSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000826400539 607647211 /nfs/dbraw/zinc/64/72/11/607647211.db2.gz AYDONGZYQNOYEB-HJWRWDBZSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1coc2ccccc12 ZINC000826399838 607647303 /nfs/dbraw/zinc/64/73/03/607647303.db2.gz HLWMTMYXMNYIRF-AATRIKPKSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1coc2ccccc12 ZINC000826399838 607647304 /nfs/dbraw/zinc/64/73/04/607647304.db2.gz HLWMTMYXMNYIRF-AATRIKPKSA-N -1 3 322.349 3.571 20 30 DHEDHM C=CCC[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000823497182 605553336 /nfs/dbraw/zinc/55/33/36/605553336.db2.gz XUCPXZCYSUAGFU-MRXNPFEDSA-N -1 3 311.385 3.969 20 30 DHEDHM C=CCC[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1 ZINC000823497181 605553409 /nfs/dbraw/zinc/55/34/09/605553409.db2.gz XUCPXZCYSUAGFU-INIZCTEOSA-N -1 3 311.385 3.969 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000822935189 606196168 /nfs/dbraw/zinc/19/61/68/606196168.db2.gz GLOXYSQJLGZAFV-KHPPLWFESA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000822935189 606196169 /nfs/dbraw/zinc/19/61/69/606196169.db2.gz GLOXYSQJLGZAFV-KHPPLWFESA-N -1 3 316.364 3.640 20 30 DHEDHM O=C1c2ccccc2CCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498596 606303612 /nfs/dbraw/zinc/30/36/12/606303612.db2.gz VWIMZSCITJCVTJ-WQLSENKSSA-N -1 3 322.393 3.531 20 30 DHEDHM O=C1c2ccccc2CCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498596 606303614 /nfs/dbraw/zinc/30/36/14/606303614.db2.gz VWIMZSCITJCVTJ-WQLSENKSSA-N -1 3 322.393 3.531 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305310 608318720 /nfs/dbraw/zinc/31/87/20/608318720.db2.gz RNLRFBGSFFSHTI-SEJMYLSOSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305310 608318722 /nfs/dbraw/zinc/31/87/22/608318722.db2.gz RNLRFBGSFFSHTI-SEJMYLSOSA-N -1 3 316.364 3.559 20 30 DHEDHM C=C[C@H](CC)CC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001573315754 947257013 /nfs/dbraw/zinc/25/70/13/947257013.db2.gz OUQKQOTXYMTMRW-GFCCVEGCSA-N -1 3 321.384 3.561 20 30 DHEDHM C=C[C@H](CC)CC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001573315754 947257021 /nfs/dbraw/zinc/25/70/21/947257021.db2.gz OUQKQOTXYMTMRW-GFCCVEGCSA-N -1 3 321.384 3.561 20 30 DHEDHM N#CC1CCC(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000799742656 1013094128 /nfs/dbraw/zinc/09/41/28/1013094128.db2.gz DQTYOTMYGHGTKS-VCHYOVAHSA-N -1 3 321.218 3.904 20 30 DHEDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000331355338 1013877705 /nfs/dbraw/zinc/87/77/05/1013877705.db2.gz QNPJUWSADKCAQF-GOEBONIOSA-N -1 3 321.442 3.964 20 30 DHEDHM COc1cc(OC)c(OC)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255207159 1014123848 /nfs/dbraw/zinc/12/38/48/1014123848.db2.gz KIHDJIPSGWQXEU-UHFFFAOYSA-N -1 3 321.760 3.822 20 30 DHEDHM CCCc1ncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000442729738 1014723080 /nfs/dbraw/zinc/72/30/80/1014723080.db2.gz LKSDVUCEMPNIGN-NSHDSACASA-N -1 3 324.409 3.770 20 30 DHEDHM N#CC(=C([O-])c1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000113650890 1014879701 /nfs/dbraw/zinc/87/97/01/1014879701.db2.gz XXDIQTZHZAQHFH-GFCCVEGCSA-N -1 3 301.305 3.799 20 30 DHEDHM C=CCC1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000895835648 1015326749 /nfs/dbraw/zinc/32/67/49/1015326749.db2.gz KEFHXVLOBFZJFT-UHFFFAOYSA-N -1 3 316.228 3.602 20 30 DHEDHM C[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001593207261 994215353 /nfs/dbraw/zinc/21/53/53/994215353.db2.gz BINCORAKIRZQTH-KDOFPFPSSA-N -1 3 323.396 3.866 20 30 DHEDHM Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1Br ZINC000588480314 1015955555 /nfs/dbraw/zinc/95/55/55/1015955555.db2.gz APAFGIYOXAGIEH-UHFFFAOYSA-N -1 3 322.158 3.625 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)ccc1[O-] ZINC000728440735 1016170081 /nfs/dbraw/zinc/17/00/81/1016170081.db2.gz SZTCCRHNRAQSJL-XQRVVYSFSA-N -1 3 311.168 3.637 20 30 DHEDHM Cc1c(F)c(C)c(F)c(C(=O)Nc2ccc([O-])c(C#N)c2)c1F ZINC001148760985 1032442580 /nfs/dbraw/zinc/44/25/80/1032442580.db2.gz LOPKXMYAPUBZJV-UHFFFAOYSA-N -1 3 320.270 3.550 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425125006 1012303064 /nfs/dbraw/zinc/30/30/64/1012303064.db2.gz FXGLOWYTJMHESA-ZDUSSCGKSA-N -1 3 308.381 3.659 20 30 DHEDHM CCc1c(C)sc([N-]C(=O)c2csc([N+](=O)[O-])c2)c1C#N ZINC000075678609 1017341912 /nfs/dbraw/zinc/34/19/12/1017341912.db2.gz KKJUVCMJPGFPPR-UHFFFAOYSA-N -1 3 321.383 3.713 20 30 DHEDHM C=CC[C@H]1N(Cc2nc(=O)c3sccc3[n-]2)CCCC1(C)C ZINC000277907994 1017642483 /nfs/dbraw/zinc/64/24/83/1017642483.db2.gz XEFSSHXBABGQLE-CYBMUJFWSA-N -1 3 317.458 3.964 20 30 DHEDHM C=CCCCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000447296222 1018366676 /nfs/dbraw/zinc/36/66/76/1018366676.db2.gz OZAKSAZTYVEGSH-UHFFFAOYSA-N -1 3 308.447 3.903 20 30 DHEDHM CC(C)(C)c1ccc(-c2noc(-c3ccc([O-])cn3)n2)c(C#N)c1 ZINC001212557883 1018462728 /nfs/dbraw/zinc/46/27/28/1018462728.db2.gz FVVAROPGUSJTOI-UHFFFAOYSA-N -1 3 320.352 3.673 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cccc(OC(F)F)c2)ccc1[O-] ZINC000057789030 1018732902 /nfs/dbraw/zinc/73/29/02/1018732902.db2.gz QJDBIIHJNCWHJP-FNORWQNLSA-N -1 3 320.291 3.898 20 30 DHEDHM O=C(Cc1ccc(Cl)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973498 1019314342 /nfs/dbraw/zinc/31/43/42/1019314342.db2.gz CBHYDRWAVVSTBP-UHFFFAOYSA-N -1 3 302.721 3.549 20 30 DHEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1cc(F)cc(F)c1[O-] ZINC001212481673 1019427881 /nfs/dbraw/zinc/42/78/81/1019427881.db2.gz CRZNXPMRKYVXSJ-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM Cc1ncc(CO)c(C=Nc2cccc(SC(F)F)c2)c1[O-] ZINC000727264534 1019678424 /nfs/dbraw/zinc/67/84/24/1019678424.db2.gz VSXWFCOFGXCRRJ-UHFFFAOYSA-N -1 3 324.352 3.653 20 30 DHEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc([O-])cc1F ZINC000729932944 1019924311 /nfs/dbraw/zinc/92/43/11/1019924311.db2.gz ORSUBCBHCOQMBD-UHFFFAOYSA-N -1 3 303.293 3.584 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(OCC#N)c1 ZINC000730151845 1019953823 /nfs/dbraw/zinc/95/38/23/1019953823.db2.gz RDLNWWROVZDKTF-HKLRHMNMSA-N -1 3 323.323 3.817 20 30 DHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2)cc1 ZINC000131525336 1020180982 /nfs/dbraw/zinc/18/09/82/1020180982.db2.gz JBXQMHILDJSGHF-WBMJQRKESA-N -1 3 310.353 3.754 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)CCC2CCCCC2)c1[O-] ZINC000734303295 1020584052 /nfs/dbraw/zinc/58/40/52/1020584052.db2.gz KDDFKIJDFVNGKN-JFENUBAZSA-N -1 3 304.434 3.756 20 30 DHEDHM N#CC(=C([O-])c1ccc2ccc(Cl)cc2n1)c1ccccn1 ZINC000176459347 1021130585 /nfs/dbraw/zinc/13/05/85/1021130585.db2.gz GQZBIRAJLDEMGD-ZDUSSCGKSA-N -1 3 307.740 3.773 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=Nc1cccc(N2CCOCC2)c1 ZINC000917558127 1021296282 /nfs/dbraw/zinc/29/62/82/1021296282.db2.gz HQKQMGQLHGKPRY-UHFFFAOYSA-N -1 3 316.788 3.633 20 30 DHEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000069952320 1021441431 /nfs/dbraw/zinc/44/14/31/1021441431.db2.gz BJHYRAGMFJEXPP-IDVQTMNDSA-N -1 3 305.362 3.581 20 30 DHEDHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000387316129 1022059709 /nfs/dbraw/zinc/05/97/09/1022059709.db2.gz QEMAQBIBMTVENF-OAHLLOKOSA-N -1 3 317.410 3.619 20 30 DHEDHM N#CC1(CNC(=O)c2cc3sccc3c([O-])c2)CCCCC1 ZINC000855957602 1022728996 /nfs/dbraw/zinc/72/89/96/1022728996.db2.gz VZDXXJCIQUPHFK-UHFFFAOYSA-N -1 3 314.410 3.811 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000856033052 1022741489 /nfs/dbraw/zinc/74/14/89/1022741489.db2.gz XIBPPFMMXDCMNM-LLVKDONJSA-N -1 3 312.207 3.567 20 30 DHEDHM Cc1ccc([O-])c(C=NN=C(c2ccccc2)c2ccccc2)n1 ZINC000728777304 1022774783 /nfs/dbraw/zinc/77/47/83/1022774783.db2.gz FXICRSLZNCLFHT-UHFFFAOYSA-N -1 3 315.376 3.967 20 30 DHEDHM C[C@@H]1CC(/N=C\c2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000767879973 1022829576 /nfs/dbraw/zinc/82/95/76/1022829576.db2.gz YMBLUJZBLALEPY-MNTQQNHISA-N -1 3 312.207 3.530 20 30 DHEDHM CC(C)(C)c1cnc(C=N[N-]c2nc3cccnc3s2)s1 ZINC000857218367 1022969805 /nfs/dbraw/zinc/96/98/05/1022969805.db2.gz PBJAAYHBTYLVEM-UHFFFAOYSA-N -1 3 317.443 3.891 20 30 DHEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000768617522 1022995700 /nfs/dbraw/zinc/99/57/00/1022995700.db2.gz HFWQBWNHMURROG-UHFFFAOYSA-N -1 3 313.319 3.543 20 30 DHEDHM CC(N=Nc1cnnc2ccccc12)c1ccc([O-])c(Cl)c1 ZINC000768776708 1023027567 /nfs/dbraw/zinc/02/75/67/1023027567.db2.gz JNAMZNBWPIGXFR-UHFFFAOYSA-N -1 3 312.760 3.825 20 30 DHEDHM CCn1nc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c2ccccc21 ZINC000769742872 1023207659 /nfs/dbraw/zinc/20/76/59/1023207659.db2.gz PNFLFNWYHWKDID-PKNBQFBNSA-N -1 3 322.364 3.667 20 30 DHEDHM CCC(O)(CC)CC/N=C/c1cc(Br)ccc1[O-] ZINC000788286858 1023871367 /nfs/dbraw/zinc/87/13/67/1023871367.db2.gz YDPAAIJZMNAAIV-MHWRWJLKSA-N -1 3 314.223 3.515 20 30 DHEDHM C[C@H](N[C@H]1c2ccccc2CC[C@H]1F)c1cccc(C#N)c1[O-] ZINC000883377581 1024411310 /nfs/dbraw/zinc/41/13/10/1024411310.db2.gz LHRMBBRTRKTUCS-RZAIGCCYSA-N -1 3 310.372 3.940 20 30 DHEDHM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nccc2ccccc21 ZINC000792102374 1024624876 /nfs/dbraw/zinc/62/48/76/1024624876.db2.gz IITBZLWBXJVFHN-FUTAKVPZSA-N -1 3 317.323 3.659 20 30 DHEDHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(C#N)c1 ZINC000792208573 1024647881 /nfs/dbraw/zinc/64/78/81/1024647881.db2.gz CCHKMARQNBRFHL-CYBMUJFWSA-N -1 3 316.360 3.908 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@@H](c3ccccc3)C2)c1[O-] ZINC000792569615 1024692313 /nfs/dbraw/zinc/69/23/13/1024692313.db2.gz LAAJSPQQFXYBBS-YDENCQFZSA-N -1 3 324.424 3.733 20 30 DHEDHM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)c(C)c1 ZINC000188676875 1024810118 /nfs/dbraw/zinc/81/01/18/1024810118.db2.gz HSDBQSPRUZPIHU-OAHLLOKOSA-N -1 3 316.364 3.579 20 30 DHEDHM CCC(CC)(C/N=C/c1cc(Br)ccc1[O-])OC ZINC000793669983 1025142010 /nfs/dbraw/zinc/14/20/10/1025142010.db2.gz WFSNEZHXXXBQTB-CXUHLZMHSA-N -1 3 314.223 3.779 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(C(F)(F)F)[nH]2)ccc1[O-] ZINC000806566695 1025926334 /nfs/dbraw/zinc/92/63/34/1025926334.db2.gz ABQHDFWTOYSIIX-UTCJRWHESA-N -1 3 311.259 3.644 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCC[C@]12CCCO2 ZINC000887269807 1026163392 /nfs/dbraw/zinc/16/33/92/1026163392.db2.gz BLUVHSRKNFDGHV-NFMLXDHJSA-N -1 3 324.218 3.675 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc([O-])c(F)c1 ZINC000807989158 1026165548 /nfs/dbraw/zinc/16/55/48/1026165548.db2.gz DSXWDTZOFOSSJU-UHFFFAOYSA-N -1 3 303.293 3.584 20 30 DHEDHM CC(=NOC/C=C/Cl)c1cc(Br)ccc1[O-] ZINC000811671664 1027059621 /nfs/dbraw/zinc/05/96/21/1027059621.db2.gz JLEXGRPDNAZFBQ-MSVOIAIGSA-N -1 3 304.571 3.648 20 30 DHEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCC1 ZINC000362244568 1027111097 /nfs/dbraw/zinc/11/10/97/1027111097.db2.gz MSRRXKJCWVPOEQ-UHFFFAOYSA-N -1 3 322.368 3.903 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C)nc1C(F)F ZINC000812241379 1027223303 /nfs/dbraw/zinc/22/33/03/1027223303.db2.gz HHDTVORZIHCZDM-WVXOVRIESA-N -1 3 322.286 3.586 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000934790998 1028108542 /nfs/dbraw/zinc/10/85/42/1028108542.db2.gz IUNBPAYUWKMOCL-QWRGUYRKSA-N -1 3 309.435 3.532 20 30 DHEDHM C=CCCCN(C)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000076665082 1028688597 /nfs/dbraw/zinc/68/85/97/1028688597.db2.gz LLYKJLAMSFAJNP-UHFFFAOYSA-N -1 3 308.495 3.919 20 30 DHEDHM CC[C@@H](CC#N)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817590904 1029218476 /nfs/dbraw/zinc/21/84/76/1029218476.db2.gz IDFXDCZTXFJXDY-VIFPVBQESA-N -1 3 321.154 3.894 20 30 DHEDHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1(C)C ZINC000043997181 1029303504 /nfs/dbraw/zinc/30/35/04/1029303504.db2.gz BFZOIYYXQCVDSD-HTQZYQBOSA-N -1 3 302.300 3.650 20 30 DHEDHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1(C)C ZINC000043997181 1029303510 /nfs/dbraw/zinc/30/35/10/1029303510.db2.gz BFZOIYYXQCVDSD-HTQZYQBOSA-N -1 3 302.300 3.650 20 30 DHEDHM CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])CCC2 ZINC000866340486 1030240951 /nfs/dbraw/zinc/24/09/51/1030240951.db2.gz JUBVKAZHWKLFQM-GUYCJALGSA-N -1 3 324.428 3.769 20 30 DHEDHM CCOc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794933276 1030388117 /nfs/dbraw/zinc/38/81/17/1030388117.db2.gz HSAZYZWFVMDPQU-CLFYSBASSA-N -1 3 304.292 3.965 20 30 DHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc2c(c1)CCO2 ZINC000794938375 1030392229 /nfs/dbraw/zinc/39/22/29/1030392229.db2.gz OTQJWZUOGPUCMI-DUXPYHPUSA-N -1 3 302.276 3.501 20 30 DHEDHM COc1cc(C)ccc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794937960 1030392389 /nfs/dbraw/zinc/39/23/89/1030392389.db2.gz JLYFKDCAMHIDNK-ALCCZGGFSA-N -1 3 304.292 3.884 20 30 DHEDHM O=C1c2c(F)ccc(F)c2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794946983 1030433109 /nfs/dbraw/zinc/43/31/09/1030433109.db2.gz ZSVNILKITDKWBX-FNORWQNLSA-N -1 3 324.229 3.607 20 30 DHEDHM O=C1c2cc(F)cc(F)c2C/C1=C\c1c(F)ccc([O-])c1F ZINC000794947009 1030433682 /nfs/dbraw/zinc/43/36/82/1030433682.db2.gz SCPFQNVQIWDLNF-QPJJXVBHSA-N -1 3 308.230 3.771 20 30 DHEDHM CC[C@H](C)c1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)on1 ZINC000121910862 1030980865 /nfs/dbraw/zinc/98/08/65/1030980865.db2.gz ONAKOYSZKITEHX-NSHDSACASA-N -1 3 324.384 3.586 20 30 DHEDHM CO[C@@H]1CCCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000844272881 1031033719 /nfs/dbraw/zinc/03/37/19/1031033719.db2.gz ZHKIIUHHAGUREG-QZHSRMNUSA-N -1 3 312.207 3.531 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000844654438 1031270736 /nfs/dbraw/zinc/27/07/36/1031270736.db2.gz RBNCWVHOGKZXKI-WDEREUQCSA-N -1 3 323.462 3.922 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000846548425 1031998492 /nfs/dbraw/zinc/99/84/92/1031998492.db2.gz TWTHXPKHXYDKKW-ZETCQYMHSA-N -1 3 322.213 3.640 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)c(OC)c2)CC)n1 ZINC000283034518 1033351325 /nfs/dbraw/zinc/35/13/25/1033351325.db2.gz PKNZQRLBIKTRLZ-NTEUORMPSA-N -1 3 323.396 3.966 20 30 DHEDHM C[C@H]1CCC(N=Nc2nc3ccccc3[n-]c2=S)CS1 ZINC000863124933 1034000956 /nfs/dbraw/zinc/00/09/56/1034000956.db2.gz ICEVWPHTCIEBIV-VIFPVBQESA-N -1 3 304.444 3.976 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2cccc3c2CCCC3)c1F ZINC000794495962 1034008507 /nfs/dbraw/zinc/00/85/07/1034008507.db2.gz ILERGPMSALITDL-UHFFFAOYSA-N -1 3 302.324 3.995 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2ccc(Cl)c(F)c2)c1F ZINC000794512839 1034084335 /nfs/dbraw/zinc/08/43/35/1034084335.db2.gz DEPUBGNUYFKZKV-UHFFFAOYSA-N -1 3 300.667 3.909 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)CO3)n1 ZINC000555064464 1034483755 /nfs/dbraw/zinc/48/37/55/1034483755.db2.gz ZTVJQEZZICDUSD-GFCCVEGCSA-N -1 3 312.394 3.612 20 30 DHEDHM CCc1cc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)no1 ZINC000888863072 1034527878 /nfs/dbraw/zinc/52/78/78/1034527878.db2.gz ZKMKKMXMUKKQAF-LLVKDONJSA-N -1 3 315.398 3.741 20 30 DHEDHM N#Cc1cc(F)cc(Nc2ccc(Br)cc2[O-])c1 ZINC001175685351 1035085334 /nfs/dbraw/zinc/08/53/34/1035085334.db2.gz QGEZXVHPXARJPF-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM CCOC(=O)c1c(C)oc(Nc2cc([O-])cc(Cl)c2)c1C#N ZINC001176623930 1035303446 /nfs/dbraw/zinc/30/34/46/1035303446.db2.gz MSBGAHHFNRLOOT-UHFFFAOYSA-N -1 3 320.732 3.739 20 30 DHEDHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000904182394 1035378920 /nfs/dbraw/zinc/37/89/20/1035378920.db2.gz CBGSXHIEYOHOLH-LURJTMIESA-N -1 3 316.106 3.910 20 30 DHEDHM C[C@H]1C[C@H](C(=O)N([O-])Cc2cccc3ccccc32)CCC1=O ZINC000904170275 1035380636 /nfs/dbraw/zinc/38/06/36/1035380636.db2.gz BAKCVXWAKCICKO-DZGCQCFKSA-N -1 3 311.381 3.563 20 30 DHEDHM CC(C)C[C@H](C(=O)N([O-])Cc1ccccc1Cl)n1ccnc1 ZINC000904192796 1035383906 /nfs/dbraw/zinc/38/39/06/1035383906.db2.gz XDIZUHTTWTXHMQ-OAHLLOKOSA-N -1 3 321.808 3.542 20 30 DHEDHM C=CCOc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000646487739 1035666955 /nfs/dbraw/zinc/66/69/55/1035666955.db2.gz IHQMDWFGYRVPHB-UHFFFAOYSA-N -1 3 303.745 3.863 20 30 DHEDHM N#Cc1cc(NC(=O)c2cc(Cl)c(Cl)s2)ccc1[O-] ZINC001195175984 1036170780 /nfs/dbraw/zinc/17/07/80/1036170780.db2.gz CYYCGUOLNFUDCX-UHFFFAOYSA-N -1 3 313.165 3.884 20 30 DHEDHM CN(Cc1cccc(C#N)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775650033 1036229048 /nfs/dbraw/zinc/22/90/48/1036229048.db2.gz XIEWPFAPCCAFOF-UHFFFAOYSA-N -1 3 304.752 3.688 20 30 DHEDHM C[C@@H](C/N=C\c1cc(Cl)ccc1[O-])N1CCc2ccccc21 ZINC000914701952 1036254067 /nfs/dbraw/zinc/25/40/67/1036254067.db2.gz SNTFVQITRQVSLB-RQZLXBNYSA-N -1 3 314.816 3.916 20 30 DHEDHM Cc1c(CC(=O)Nc2ccc([O-])c(C#N)c2)sc2ccccc12 ZINC001183242631 1036553763 /nfs/dbraw/zinc/55/37/63/1036553763.db2.gz DPVXVJNRHZBYPX-UHFFFAOYSA-N -1 3 322.389 3.968 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCC(F)(F)C1 ZINC000763096042 1037253120 /nfs/dbraw/zinc/25/31/20/1037253120.db2.gz HAVKKQPSCHFEKS-JYMRLUDQSA-N -1 3 304.134 3.761 20 30 DHEDHM N#CCc1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000776109823 1037441469 /nfs/dbraw/zinc/44/14/69/1037441469.db2.gz CREIOKPDQQKBKQ-UHFFFAOYSA-N -1 3 309.152 3.745 20 30 DHEDHM CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000915980890 1037631653 /nfs/dbraw/zinc/63/16/53/1037631653.db2.gz HAWDIYCNHZYJJN-UHFFFAOYSA-N -1 3 307.733 3.606 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccn2cc(C)nc12 ZINC001187993053 1037774929 /nfs/dbraw/zinc/77/49/29/1037774929.db2.gz GNKJZBDLUDJWKT-UHFFFAOYSA-N -1 3 323.462 3.745 20 30 DHEDHM COc1ccc(C#N)cc1Nc1ccc([O-])c(Br)c1 ZINC001201584468 1037793649 /nfs/dbraw/zinc/79/36/49/1037793649.db2.gz WLIFRVPICTYHGJ-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM COc1ccc(C#N)cc1Nc1ccc(Br)cc1[O-] ZINC001201585556 1037794415 /nfs/dbraw/zinc/79/44/15/1037794415.db2.gz OPTLPHKEDNUYIB-UHFFFAOYSA-N -1 3 319.158 3.779 20 30 DHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC001201834267 1037914530 /nfs/dbraw/zinc/91/45/30/1037914530.db2.gz MLHVSKMOIYAFFM-UHFFFAOYSA-N -1 3 313.467 3.667 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)s2)nc(C)n1 ZINC000916880457 1038017494 /nfs/dbraw/zinc/01/74/94/1038017494.db2.gz SFJJBDCJZJUJGM-FHMRSRPSSA-N -1 3 317.801 3.698 20 30 DHEDHM C=CCCCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001190109035 1038261453 /nfs/dbraw/zinc/26/14/53/1038261453.db2.gz RWJFWIZHXNHKJI-UHFFFAOYSA-N -1 3 317.401 3.688 20 30 DHEDHM N#Cc1cc(NC(=O)c2ccncc2-c2ccccc2)ccc1[O-] ZINC001191901758 1038565430 /nfs/dbraw/zinc/56/54/30/1038565430.db2.gz WMNXTKUCEIQTNT-UHFFFAOYSA-N -1 3 315.332 3.578 20 30 DHEDHM N#CC(=C([O-])c1cccc(Cl)n1)c1ccc2ccccc2n1 ZINC000775531224 1038657483 /nfs/dbraw/zinc/65/74/83/1038657483.db2.gz QEARWHPQMVVJKY-LBPRGKRZSA-N -1 3 307.740 3.773 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)co1 ZINC000591004410 1038742468 /nfs/dbraw/zinc/74/24/68/1038742468.db2.gz JUUROECITKMQGX-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000597179605 1040678505 /nfs/dbraw/zinc/67/85/05/1040678505.db2.gz JXEYUMCRVWBAMM-LLVKDONJSA-N -1 3 315.398 3.741 20 30 DHEDHM C=CCOc1cccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618975 335013185 /nfs/dbraw/zinc/01/31/85/335013185.db2.gz KEBZPGRAYQVLQF-OALUTQOASA-N -1 3 323.392 3.654 20 30 DHEDHM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])s1 ZINC000340314890 131382757 /nfs/dbraw/zinc/38/27/57/131382757.db2.gz XCOLILLEMWGDLL-UHFFFAOYSA-N -1 3 312.272 3.596 20 30 DHEDHM C[C@H]1CCc2sc([N-]C(=O)c3cocn3)c(C#N)c2[C@H]1C ZINC000297807661 132034971 /nfs/dbraw/zinc/03/49/71/132034971.db2.gz LJXUYWDZYGIMPG-IUCAKERBSA-N -1 3 301.371 3.546 20 30 DHEDHM Cc1ncc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)s1 ZINC000297879050 132038454 /nfs/dbraw/zinc/03/84/54/132038454.db2.gz UYRQNQZERDSGFS-UHFFFAOYSA-N -1 3 305.428 3.935 20 30 DHEDHM COC(=O)NCc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255129192 331714778 /nfs/dbraw/zinc/71/47/78/331714778.db2.gz IOUPRXZTSHJALX-UHFFFAOYSA-N -1 3 318.760 3.652 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCSc2ccc(F)cc21 ZINC000292763590 335094585 /nfs/dbraw/zinc/09/45/85/335094585.db2.gz LICYYDPRENPUFA-NSHDSACASA-N -1 3 301.333 3.690 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCO[C@H](C2CC2)C1 ZINC000154223877 332738670 /nfs/dbraw/zinc/73/86/70/332738670.db2.gz RODGPDYWVJKZJJ-NXLQUEFTSA-N -1 3 324.218 3.531 20 30 DHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCO3)n1 ZINC000531331251 333344238 /nfs/dbraw/zinc/34/42/38/333344238.db2.gz LCIWDWGIPZLAEN-ZDUSSCGKSA-N -1 3 312.394 3.691 20 30 DHEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cncs1 ZINC000340073908 334123659 /nfs/dbraw/zinc/12/36/59/334123659.db2.gz GEFWYRXTMIAFPN-JTQLQIEISA-N -1 3 303.412 3.647 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(-c3ccoc3)c2)nc(C)n1 ZINC000340748625 334384467 /nfs/dbraw/zinc/38/44/67/334384467.db2.gz GDWFDPPFAOWMPJ-KRWDZBQOSA-N -1 3 317.348 3.844 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1C1CCCCC1 ZINC000345659044 335344242 /nfs/dbraw/zinc/34/42/42/335344242.db2.gz JDQQATVKEXGNPM-HNNXBMFYSA-N -1 3 308.385 3.582 20 30 DHEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000329906630 336094038 /nfs/dbraw/zinc/09/40/38/336094038.db2.gz KGOAAZOMGYFKJX-HMHCLHNZSA-N -1 3 306.431 3.758 20 30 DHEDHM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1csc(=O)[n-]1 ZINC000329970619 336101296 /nfs/dbraw/zinc/10/12/96/336101296.db2.gz XZHQVYIHXJGBAB-UONOGXRCSA-N -1 3 316.426 3.955 20 30 DHEDHM Cc1ccc([O-])c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000352198308 336201460 /nfs/dbraw/zinc/20/14/60/336201460.db2.gz KKJRTVHFTLOBCL-KRWDZBQOSA-N -1 3 308.381 3.866 20 30 DHEDHM C=CCn1c(S[C@H](C)c2c(C)cc(C)cc2C)n[n-]c1=O ZINC000532360608 336244157 /nfs/dbraw/zinc/24/41/57/336244157.db2.gz HMZSOMHJXWQDOF-CYBMUJFWSA-N -1 3 303.431 3.948 20 30 DHEDHM C=CCn1c(S[C@@H](C)c2c(C)cc(C)cc2C)n[n-]c1=O ZINC000532360610 336244222 /nfs/dbraw/zinc/24/42/22/336244222.db2.gz HMZSOMHJXWQDOF-ZDUSSCGKSA-N -1 3 303.431 3.948 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000182405939 337188285 /nfs/dbraw/zinc/18/82/85/337188285.db2.gz IHKHKAZPVIFSNU-GFCCVEGCSA-N -1 3 312.394 3.896 20 30 DHEDHM Cc1nc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2)o1 ZINC000185252069 337203762 /nfs/dbraw/zinc/20/37/62/337203762.db2.gz FMKMXORNZJAKCA-AWEZNQCLSA-N -1 3 303.321 3.535 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cccc(Cl)c2F)c(F)c1 ZINC000153478174 338225510 /nfs/dbraw/zinc/22/55/10/338225510.db2.gz QYVGHLAZLDPALK-UHFFFAOYSA-N -1 3 310.662 3.881 20 30 DHEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000496769049 340012519 /nfs/dbraw/zinc/01/25/19/340012519.db2.gz DSVJSHVYWBICOJ-GFCCVEGCSA-N -1 3 321.377 3.519 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000496769049 340012520 /nfs/dbraw/zinc/01/25/20/340012520.db2.gz DSVJSHVYWBICOJ-GFCCVEGCSA-N -1 3 321.377 3.519 20 30 DHEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506238667 340189645 /nfs/dbraw/zinc/18/96/45/340189645.db2.gz QQQWQKOKPWDBHI-SFHVURJKSA-N -1 3 305.418 3.857 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000517163193 340464656 /nfs/dbraw/zinc/46/46/56/340464656.db2.gz KHFQLXWBSAGPIY-UHFFFAOYSA-N -1 3 303.412 3.768 20 30 DHEDHM O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973155 341124295 /nfs/dbraw/zinc/12/42/95/341124295.db2.gz XKTKMWIHVHYICU-UHFFFAOYSA-N -1 3 318.333 3.584 20 30 DHEDHM O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973155 341124296 /nfs/dbraw/zinc/12/42/96/341124296.db2.gz XKTKMWIHVHYICU-UHFFFAOYSA-N -1 3 318.333 3.584 20 30 DHEDHM O=C(CSc1ccc(F)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973155 341124297 /nfs/dbraw/zinc/12/42/97/341124297.db2.gz XKTKMWIHVHYICU-UHFFFAOYSA-N -1 3 318.333 3.584 20 30 DHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(Cl)c1 ZINC000076935508 341215923 /nfs/dbraw/zinc/21/59/23/341215923.db2.gz YXNBLMIUWSMPLS-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM N#Cc1ccc(SCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC000568366906 341668526 /nfs/dbraw/zinc/66/85/26/341668526.db2.gz HJTNCMAHROGURG-UHFFFAOYSA-N -1 3 317.801 3.877 20 30 DHEDHM C=CCn1c(SCc2ncccc2[O-])nnc1-c1ccccc1 ZINC000574748549 341767810 /nfs/dbraw/zinc/76/78/10/341767810.db2.gz XDGMJLKOPUPZPQ-UHFFFAOYSA-N -1 3 324.409 3.524 20 30 DHEDHM C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136249 599405738 /nfs/dbraw/zinc/40/57/38/599405738.db2.gz FQBRPSNMIZRTGR-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136249 599405740 /nfs/dbraw/zinc/40/57/40/599405740.db2.gz FQBRPSNMIZRTGR-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000827718739 600762005 /nfs/dbraw/zinc/76/20/05/600762005.db2.gz XDHTVAAGEGAHCH-ZBEGNZNMSA-N -1 3 314.772 3.688 20 30 DHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)s1 ZINC000822922545 606302543 /nfs/dbraw/zinc/30/25/43/606302543.db2.gz HHXDYDAVZIYDPA-OWOJBTEDSA-N -1 3 322.802 3.539 20 30 DHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)s1 ZINC000822922545 606302544 /nfs/dbraw/zinc/30/25/44/606302544.db2.gz HHXDYDAVZIYDPA-OWOJBTEDSA-N -1 3 322.802 3.539 20 30 DHEDHM C[C@@H](CCc1ccccc1)CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820219917 606433839 /nfs/dbraw/zinc/43/38/39/606433839.db2.gz LIXXDWAANANMNB-AWEZNQCLSA-N -1 3 320.400 3.533 20 30 DHEDHM C[C@@H](CCc1ccccc1)CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820219917 606433840 /nfs/dbraw/zinc/43/38/40/606433840.db2.gz LIXXDWAANANMNB-AWEZNQCLSA-N -1 3 320.400 3.533 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC000826305294 608318698 /nfs/dbraw/zinc/31/86/98/608318698.db2.gz QXTXADAXOULJMA-YUSFRKCESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC000826305294 608318700 /nfs/dbraw/zinc/31/87/00/608318700.db2.gz QXTXADAXOULJMA-YUSFRKCESA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC000826286224 947828179 /nfs/dbraw/zinc/82/81/79/947828179.db2.gz VXHUQWHJJHFIPB-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC000826286224 947828183 /nfs/dbraw/zinc/82/81/83/947828183.db2.gz VXHUQWHJJHFIPB-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM COc1cc2c(cc1/C=C/C(=O)c1ccc([O-])c(C)c1)O[C@@H](C)C2 ZINC000728230705 1013254794 /nfs/dbraw/zinc/25/47/94/1013254794.db2.gz FUVLKKCJQJVQHX-IYNGYCSASA-N -1 3 324.376 3.929 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cccc3c2OCCCO3)ccc1[O-] ZINC000728232172 1013313227 /nfs/dbraw/zinc/31/32/27/1013313227.db2.gz SNQMSRYXSFBSEU-TWGQIWQCSA-N -1 3 310.349 3.758 20 30 DHEDHM CC(C)(C)c1noc([N-]c2cnccc2Br)c1C#N ZINC001211222981 1014244484 /nfs/dbraw/zinc/24/44/84/1014244484.db2.gz KZUHRMSQFKUPPK-UHFFFAOYSA-N -1 3 321.178 3.745 20 30 DHEDHM CCC1CCC(NCC#Cc2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC001595425155 981044525 /nfs/dbraw/zinc/04/45/25/981044525.db2.gz FYYIQZVAWFEKGU-UHFFFAOYSA-N -1 3 319.832 3.705 20 30 DHEDHM C[C@H](C/N=C/c1cc(Br)ccc1[O-])c1ccncc1 ZINC000749843171 1015053535 /nfs/dbraw/zinc/05/35/35/1015053535.db2.gz AIYMMXCQRFWLBK-VDCVXVNISA-N -1 3 319.202 3.772 20 30 DHEDHM CC(C)(C)C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001589764604 988105292 /nfs/dbraw/zinc/10/52/92/988105292.db2.gz PLGHITDXERHCQJ-ZDUSSCGKSA-N -1 3 300.402 3.515 20 30 DHEDHM C[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1c[nH]c2ccccc21 ZINC001171256267 1032119301 /nfs/dbraw/zinc/11/93/01/1032119301.db2.gz ULDVKAPLDZZWKK-ZDUSSCGKSA-N -1 3 319.364 3.643 20 30 DHEDHM CC(=NN=c1[nH]c2ccccc2s1)c1ccc([O-])c(F)c1 ZINC000728428725 1016084275 /nfs/dbraw/zinc/08/42/75/1016084275.db2.gz AVGUHGIMXWEWFW-UHFFFAOYSA-N -1 3 301.346 3.977 20 30 DHEDHM C[C@]1(C2CCCCC2)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001593992684 997274685 /nfs/dbraw/zinc/27/46/85/997274685.db2.gz NDPIPEFEAMVILA-LJQANCHMSA-N -1 3 312.413 3.801 20 30 DHEDHM N#CCc1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528297 1016947577 /nfs/dbraw/zinc/94/75/77/1016947577.db2.gz SFQZMTWLKPFYMX-UHFFFAOYSA-N -1 3 324.771 3.667 20 30 DHEDHM C=CC(C)(C)CCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001148726861 1032435376 /nfs/dbraw/zinc/43/53/76/1032435376.db2.gz CAIGFYFRVVLYBK-UHFFFAOYSA-N -1 3 318.804 3.514 20 30 DHEDHM CC(C)(CCC#N)c1ccc(C(=O)Nc2cncc([O-])c2)cc1 ZINC001148900664 1032451264 /nfs/dbraw/zinc/45/12/64/1032451264.db2.gz HKWVYZTYJBPEMT-UHFFFAOYSA-N -1 3 309.369 3.621 20 30 DHEDHM CCCCN(C)c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255030968 1013021022 /nfs/dbraw/zinc/02/10/22/1013021022.db2.gz PFCCPPFWPXBSEF-UHFFFAOYSA-N -1 3 314.385 3.790 20 30 DHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000121872840 1017426143 /nfs/dbraw/zinc/42/61/43/1017426143.db2.gz QOLOTDYWXIGRSZ-CYBMUJFWSA-N -1 3 304.353 3.571 20 30 DHEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(C#N)cc1F ZINC001127779806 1018316765 /nfs/dbraw/zinc/31/67/65/1018316765.db2.gz CFQQWUUDSKOHKG-UHFFFAOYSA-N -1 3 321.311 3.913 20 30 DHEDHM CCC(N=Nc1ncnc2sccc21)c1ccc([O-])c(F)c1 ZINC000764667933 1018344941 /nfs/dbraw/zinc/34/49/41/1018344941.db2.gz WVRHJMHMMGLODV-UHFFFAOYSA-N -1 3 316.361 3.762 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1F ZINC000729932892 1019923891 /nfs/dbraw/zinc/92/38/91/1019923891.db2.gz OAMZWHZBQINLSG-UHFFFAOYSA-N -1 3 323.711 3.929 20 30 DHEDHM Cc1csc([N-]C(=O)c2nc(C(C)(C)C)cs2)c1C#N ZINC000875709546 1032878465 /nfs/dbraw/zinc/87/84/65/1032878465.db2.gz QNXZKMRITPBMCR-UHFFFAOYSA-N -1 3 305.428 3.935 20 30 DHEDHM CCOC(=O)c1c(C)oc(Nc2ccc(Cl)cc2[O-])c1C#N ZINC001214405054 1020181555 /nfs/dbraw/zinc/18/15/55/1020181555.db2.gz MSTLGANNUYRHHK-UHFFFAOYSA-N -1 3 320.732 3.739 20 30 DHEDHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000124611297 1020200150 /nfs/dbraw/zinc/20/01/50/1020200150.db2.gz IGZISUDYXMVOPZ-AWEZNQCLSA-N -1 3 308.381 3.796 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CC1CCSCC1 ZINC000733205015 1020343617 /nfs/dbraw/zinc/34/36/17/1020343617.db2.gz HGJZKYDRBWWOPJ-OQLLNIDSSA-N -1 3 314.248 3.717 20 30 DHEDHM COc1cc(CN=Nc2c(F)cccc2F)cc(Cl)c1[O-] ZINC000735615842 1020752670 /nfs/dbraw/zinc/75/26/70/1020752670.db2.gz SBTKDUDYWWUWQW-UHFFFAOYSA-N -1 3 312.703 3.778 20 30 DHEDHM CCOC(=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000737444413 1021043047 /nfs/dbraw/zinc/04/30/47/1021043047.db2.gz QTEQXLISPKVPRO-UHFFFAOYSA-N -1 3 317.772 3.902 20 30 DHEDHM N#Cc1ccc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000188841489 1021232018 /nfs/dbraw/zinc/23/20/18/1021232018.db2.gz OMQGTEMDCDARTQ-UHFFFAOYSA-N -1 3 312.756 3.588 20 30 DHEDHM CCc1nc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)co1 ZINC000410925760 1021260908 /nfs/dbraw/zinc/26/09/08/1021260908.db2.gz HFYHDDGXDXXNFH-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM Cc1cc(OC(C)C)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000917557353 1021301302 /nfs/dbraw/zinc/30/13/02/1021301302.db2.gz HGVUYAPWUZRBIP-UHFFFAOYSA-N -1 3 301.342 3.650 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccnc1Cl ZINC000728697992 1021677322 /nfs/dbraw/zinc/67/73/22/1021677322.db2.gz AWFNLFOQSXQPEE-RYGSOJJJSA-N -1 3 303.720 3.963 20 30 DHEDHM Cc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)c([O-])c1C ZINC000556951581 1021965956 /nfs/dbraw/zinc/96/59/56/1021965956.db2.gz OIYBETUDTCTWPO-UHFFFAOYSA-N -1 3 312.344 3.709 20 30 DHEDHM CO[C@@H]1CC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000901378541 1022116574 /nfs/dbraw/zinc/11/65/74/1022116574.db2.gz ISISSUGEMNZYTN-ZWNOBZJWSA-N -1 3 318.200 3.526 20 30 DHEDHM O=C([N-]CC#Cc1ccccc1)C(F)(F)c1cccc(Cl)c1 ZINC000921020980 1022202260 /nfs/dbraw/zinc/20/22/60/1022202260.db2.gz JYNJKSXNOWWHOI-UHFFFAOYSA-N -1 3 319.738 3.600 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1COC2(CCCCCC2)O1 ZINC000776725189 1022443783 /nfs/dbraw/zinc/44/37/83/1022443783.db2.gz FXYLZJIEYUPAGG-SMLKNPDNSA-N -1 3 323.820 3.930 20 30 DHEDHM C=CCCO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000856031878 1022740373 /nfs/dbraw/zinc/74/03/73/1022740373.db2.gz BAYNKEYKUNJQBN-AVJIGQEQSA-N -1 3 317.351 3.759 20 30 DHEDHM CCc1cccc(C(=O)N(CCC#N)c2ccc(C)cc2)c1[O-] ZINC000769728587 1023193874 /nfs/dbraw/zinc/19/38/74/1023193874.db2.gz QSUGDBLKURJJIW-UHFFFAOYSA-N -1 3 308.381 3.824 20 30 DHEDHM CC(C)[C@@H](C/N=C\c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788285776 1023870020 /nfs/dbraw/zinc/87/00/20/1023870020.db2.gz LKRZSIALEPDVCV-BBSXFRJVSA-N -1 3 305.809 3.638 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccnc(OC(F)F)c1 ZINC000790572534 1024329355 /nfs/dbraw/zinc/32/93/55/1024329355.db2.gz AJWQWGKCAVEVHL-QGMBQPNBSA-N -1 3 312.703 3.661 20 30 DHEDHM Cc1cccc([O-])c1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000887697869 1033203344 /nfs/dbraw/zinc/20/33/44/1033203344.db2.gz TUKOWGXAUQYUMK-UHFFFAOYSA-N -1 3 320.392 3.592 20 30 DHEDHM C=CCN(CC(F)(F)F)C(=O)c1cc2sccc2c([O-])c1 ZINC000791349068 1024480336 /nfs/dbraw/zinc/48/03/36/1024480336.db2.gz UXBUNNYWXRXZFH-UHFFFAOYSA-N -1 3 315.316 3.797 20 30 DHEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000791366675 1024484065 /nfs/dbraw/zinc/48/40/65/1024484065.db2.gz LVUGVAKNMHQSSS-DIFFPNOSSA-N -1 3 314.410 3.809 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cncc3ccccc23)ccc1[O-] ZINC000772798176 1024674642 /nfs/dbraw/zinc/67/46/42/1024674642.db2.gz SWNNUMSDCYCLFG-BQYQJAHWSA-N -1 3 305.333 3.845 20 30 DHEDHM C=CCC[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096845 1025316085 /nfs/dbraw/zinc/31/60/85/1025316085.db2.gz KJUUYIXOMAZOMB-SNVBAGLBSA-N -1 3 301.180 3.984 20 30 DHEDHM C#C[C@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1F ZINC000804808050 1025478935 /nfs/dbraw/zinc/47/89/35/1025478935.db2.gz MNZKEULTFLQOCN-JTQLQIEISA-N -1 3 311.725 3.630 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCCC1(F)F ZINC000806550368 1025908336 /nfs/dbraw/zinc/90/83/36/1025908336.db2.gz BVSACTQAYYNYJQ-CRZGJZTJSA-N -1 3 304.134 3.761 20 30 DHEDHM C[C@@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000807897715 1026137756 /nfs/dbraw/zinc/13/77/56/1026137756.db2.gz VIOYLZWSXDGNLV-MUWHJKNJSA-N -1 3 317.204 3.783 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc([O-])cc1F ZINC000807990906 1026165862 /nfs/dbraw/zinc/16/58/62/1026165862.db2.gz OIUUQLIZWYMMBV-UHFFFAOYSA-N -1 3 303.293 3.584 20 30 DHEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000513605346 1026542528 /nfs/dbraw/zinc/54/25/28/1026542528.db2.gz RUBDDUCOMOARNB-UHFFFAOYSA-N -1 3 320.270 3.843 20 30 DHEDHM C=C[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000572070064 1027166602 /nfs/dbraw/zinc/16/66/02/1027166602.db2.gz FKFPOAXPMWUJON-GFCCVEGCSA-N -1 3 309.369 3.622 20 30 DHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ncccc3Cl)on2)c1 ZINC000448338615 1027733456 /nfs/dbraw/zinc/73/34/56/1027733456.db2.gz DRMWLFKDUJCZJR-UHFFFAOYSA-N -1 3 324.727 3.514 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccccc2-c2ccnn2C)ccc1[O-] ZINC000814188755 1027943629 /nfs/dbraw/zinc/94/36/29/1027943629.db2.gz TZVXZCQRPMXWJK-JXMROGBWSA-N -1 3 318.376 3.997 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1ccco1)c1ccccc1OC ZINC000816774959 1029003841 /nfs/dbraw/zinc/00/38/41/1029003841.db2.gz IGNXTXWVHFDKHM-HNNXBMFYSA-N -1 3 321.323 3.705 20 30 DHEDHM Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190909846 1029208185 /nfs/dbraw/zinc/20/81/85/1029208185.db2.gz AMMMXYRCNYOKGB-OAHLLOKOSA-N -1 3 301.349 3.737 20 30 DHEDHM N#CC(=C([O-])c1ccc(Cl)cc1)c1cnc2ccccc2n1 ZINC000190941687 1029218251 /nfs/dbraw/zinc/21/82/51/1029218251.db2.gz YOBLREDYAGPMBP-ZDUSSCGKSA-N -1 3 307.740 3.773 20 30 DHEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])c1ccccn1 ZINC000005228258 1030141546 /nfs/dbraw/zinc/14/15/46/1030141546.db2.gz AJCGTXRDMHZFGR-VJCPFXPRSA-N -1 3 305.175 3.730 20 30 DHEDHM CC(C)c1csc(CN[C@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866288181 1030206064 /nfs/dbraw/zinc/20/60/64/1030206064.db2.gz WPJYPEFJLNNHRW-LLVKDONJSA-N -1 3 301.415 3.695 20 30 DHEDHM COc1ccc2c(c1)CC/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794933644 1030381488 /nfs/dbraw/zinc/38/14/88/1030381488.db2.gz KJHLTVHWQDXKGH-LUAWRHEFSA-N -1 3 316.303 3.892 20 30 DHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc2c(c1)CCO2 ZINC000794938377 1030394218 /nfs/dbraw/zinc/39/42/18/1030394218.db2.gz OTQJWZUOGPUCMI-RQOWECAXSA-N -1 3 302.276 3.501 20 30 DHEDHM O=C1c2cccc(O)c2CC/C1=C/c1c(F)ccc([O-])c1F ZINC000794942856 1030421572 /nfs/dbraw/zinc/42/15/72/1030421572.db2.gz QXRJLOKNUCBUPM-HJWRWDBZSA-N -1 3 302.276 3.589 20 30 DHEDHM CCCCCCCCCC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824153886 1030484835 /nfs/dbraw/zinc/48/48/35/1030484835.db2.gz BJBWUOIETNQKMZ-UHFFFAOYSA-N -1 3 321.465 3.983 20 30 DHEDHM CCCCCCCCC(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000824153898 1030485226 /nfs/dbraw/zinc/48/52/26/1030485226.db2.gz BOCYVYXNJVZFOP-UHFFFAOYSA-N -1 3 307.438 3.593 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCC3CC3)cc2)n1 ZINC000066504236 1030514307 /nfs/dbraw/zinc/51/43/07/1030514307.db2.gz ZHEFEPLWVZTHNH-OAHLLOKOSA-N -1 3 312.394 3.730 20 30 DHEDHM CC(N=Nc1ncccc1F)c1ccc(Br)cc1[O-] ZINC000794984669 1030523979 /nfs/dbraw/zinc/52/39/79/1030523979.db2.gz MCUWEVFXDKAHKE-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1C1CCCCC1 ZINC000358579904 1030544280 /nfs/dbraw/zinc/54/42/80/1030544280.db2.gz NUPQHNKZIQYEIA-HNNXBMFYSA-N -1 3 308.385 3.582 20 30 DHEDHM C=CCCC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC000360295659 1031363710 /nfs/dbraw/zinc/36/37/10/1031363710.db2.gz VOBJASROBJMUQA-UHFFFAOYSA-N -1 3 322.368 3.903 20 30 DHEDHM CCC[C@@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000536686473 1031391444 /nfs/dbraw/zinc/39/14/44/1031391444.db2.gz ONXFUKOSUYRWEG-ZDUSSCGKSA-N -1 3 310.353 3.607 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](CC2CCC2)c2ccccc2)c1[O-] ZINC000777872974 1031694342 /nfs/dbraw/zinc/69/43/42/1031694342.db2.gz DMDHSICUCROXJJ-OZNZCJATSA-N -1 3 324.424 3.938 20 30 DHEDHM N#CC(C(=O)C1(F)CCCCC1)=C([O-])C1(c2ccccc2)CC1 ZINC000845844018 1031728277 /nfs/dbraw/zinc/72/82/77/1031728277.db2.gz ODYFHWFIALVPGZ-HNNXBMFYSA-N -1 3 313.372 3.669 20 30 DHEDHM C=CCCCCCCCCC(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC001144796109 1031968485 /nfs/dbraw/zinc/96/84/85/1031968485.db2.gz YWCNACOWXXGMJD-UHFFFAOYSA-N -1 3 321.421 3.832 20 30 DHEDHM C=CCCCCCCCCC(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC001144796109 1031968497 /nfs/dbraw/zinc/96/84/97/1031968497.db2.gz YWCNACOWXXGMJD-UHFFFAOYSA-N -1 3 321.421 3.832 20 30 DHEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361540335 1031977463 /nfs/dbraw/zinc/97/74/63/1031977463.db2.gz IYLWFEIXYNDUCI-INIZCTEOSA-N -1 3 320.323 3.873 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000846543889 1031995567 /nfs/dbraw/zinc/99/55/67/1031995567.db2.gz CWOMDMMSEPLTCB-WDEREUQCSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000846546539 1031999109 /nfs/dbraw/zinc/99/91/09/1031999109.db2.gz CRXGAJLBEWSEKU-WDEREUQCSA-N -1 3 312.207 3.565 20 30 DHEDHM COC1CCC(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863124973 1034001479 /nfs/dbraw/zinc/00/14/79/1034001479.db2.gz JLHRWAREJCACJI-UHFFFAOYSA-N -1 3 316.430 3.895 20 30 DHEDHM CC(CSCCF)N=Nc1nc2ccccc2[n-]c1=S ZINC000863124791 1034001780 /nfs/dbraw/zinc/00/17/80/1034001780.db2.gz DDPOSKUGXJNCDR-UHFFFAOYSA-N -1 3 310.423 3.783 20 30 DHEDHM C[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)C[C@H](C)O1 ZINC000863125058 1034001840 /nfs/dbraw/zinc/00/18/40/1034001840.db2.gz LXJSHDZCTHJWSY-AOOOYVTPSA-N -1 3 302.403 3.648 20 30 DHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@@H]1CCCOC1 ZINC000863128312 1034004345 /nfs/dbraw/zinc/00/43/45/1034004345.db2.gz JPFDUWPXIJTLBG-LLVKDONJSA-N -1 3 302.403 3.507 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CC1(C(F)(F)F)CC1 ZINC000794675967 1034335967 /nfs/dbraw/zinc/33/59/67/1034335967.db2.gz HLTLHDBHYZRAEI-UBKPWBPPSA-N -1 3 322.124 3.916 20 30 DHEDHM CCc1ccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000794678494 1034336751 /nfs/dbraw/zinc/33/67/51/1034336751.db2.gz BWTWBVAYUJIDNS-AEUYPJEVSA-N -1 3 303.789 3.761 20 30 DHEDHM N#Cc1cc(Br)cc(Nc2ccc([O-])c(F)c2)c1 ZINC001174737676 1034586762 /nfs/dbraw/zinc/58/67/62/1034586762.db2.gz DPLRNLOHOLAXEG-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM N#Cc1cnnc(-c2ccccc2)c1Nc1c(F)cc([O-])cc1F ZINC001175097586 1034814060 /nfs/dbraw/zinc/81/40/60/1034814060.db2.gz DHLKWXUGIICMOI-UHFFFAOYSA-N -1 3 324.290 3.743 20 30 DHEDHM C=CCCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001176187510 1035215515 /nfs/dbraw/zinc/21/55/15/1035215515.db2.gz GKFQMVQQAZLZIT-MRXNPFEDSA-N -1 3 311.381 3.925 20 30 DHEDHM COC1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000904171311 1035380798 /nfs/dbraw/zinc/38/07/98/1035380798.db2.gz MIZQDQDQIJABGI-UHFFFAOYSA-N -1 3 313.397 3.763 20 30 DHEDHM CC(C)c1nccn1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904173210 1035381585 /nfs/dbraw/zinc/38/15/85/1035381585.db2.gz PKBITISZRCQTMO-UHFFFAOYSA-N -1 3 323.396 3.578 20 30 DHEDHM CC(C)C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)n1ccnc1 ZINC000904192795 1035384067 /nfs/dbraw/zinc/38/40/67/1035384067.db2.gz XDIZUHTTWTXHMQ-HNNXBMFYSA-N -1 3 321.808 3.542 20 30 DHEDHM [O-]c1c(Cl)cc(Cl)cc1C=NNc1cncc(Cl)n1 ZINC000914557860 1036104339 /nfs/dbraw/zinc/10/43/39/1036104339.db2.gz ZKBQJBRBRVWLJB-UHFFFAOYSA-N -1 3 317.563 3.588 20 30 DHEDHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)c1 ZINC001195156836 1036164368 /nfs/dbraw/zinc/16/43/68/1036164368.db2.gz UIHKCMBYLUVBFN-UHFFFAOYSA-N -1 3 318.373 3.622 20 30 DHEDHM N#Cc1sccc1[N-]C(=O)c1sccc1C(F)(F)F ZINC001195206437 1036177946 /nfs/dbraw/zinc/17/79/46/1036177946.db2.gz SHVMWSWZRRTRTB-UHFFFAOYSA-N -1 3 302.302 3.952 20 30 DHEDHM N#C[C@H]1CSCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000774643462 1036615866 /nfs/dbraw/zinc/61/58/66/1036615866.db2.gz UTPYCLHCVDLNKG-ZDUSSCGKSA-N -1 3 324.405 3.733 20 30 DHEDHM CCC(CC)n1nccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283432 1036803079 /nfs/dbraw/zinc/80/30/79/1036803079.db2.gz JSOUUQQEDHMWGV-UHFFFAOYSA-N -1 3 321.808 3.929 20 30 DHEDHM N#Cc1csc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001184341477 1036819842 /nfs/dbraw/zinc/81/98/42/1036819842.db2.gz ZRRZVOTWKXKBPS-UHFFFAOYSA-N -1 3 308.362 3.805 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cccc(F)c2F)c(OC)cc1[O-] ZINC000763103476 1037254860 /nfs/dbraw/zinc/25/48/60/1037254860.db2.gz CQQRWBHVIXUUGX-VOTSOKGWSA-N -1 3 320.291 3.584 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2cnncc21 ZINC001188013016 1037786370 /nfs/dbraw/zinc/78/63/70/1037786370.db2.gz NUALBOOZRAUDFI-UHFFFAOYSA-N -1 3 321.446 3.732 20 30 DHEDHM Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])c(C#N)n1 ZINC001168522290 1038028850 /nfs/dbraw/zinc/02/88/50/1038028850.db2.gz FCWMECPCLGODON-UHFFFAOYSA-N -1 3 324.771 3.781 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)co1 ZINC000590999642 1038741796 /nfs/dbraw/zinc/74/17/96/1038741796.db2.gz PXGQIQHBHWAOQQ-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(C4CC4)n3)nc21 ZINC000605363394 1039671890 /nfs/dbraw/zinc/67/18/90/1039671890.db2.gz XKCJZXDCLFKKFW-NSHDSACASA-N -1 3 322.393 3.695 20 30 DHEDHM N#CCC1(CSc2nnc([N-]c3ccccc3F)s2)CC1 ZINC000594882398 1039912988 /nfs/dbraw/zinc/91/29/88/1039912988.db2.gz UOSMWYQYLJFLRX-UHFFFAOYSA-N -1 3 320.418 4.207 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000602244511 1040927732 /nfs/dbraw/zinc/92/77/32/1040927732.db2.gz FMTKKHSNCAJTGE-UHFFFAOYSA-N -1 3 315.398 3.828 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccccc1OC1CCCC1 ZINC000417620608 335014191 /nfs/dbraw/zinc/01/41/91/335014191.db2.gz DGFLXVDPJJTNIM-OAHLLOKOSA-N -1 3 303.402 3.517 20 30 DHEDHM C=C(C)[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000192790759 335039407 /nfs/dbraw/zinc/03/94/07/335039407.db2.gz UFAFFLVGWBJDFA-BZNIZROVSA-N -1 3 319.355 3.737 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2cncc(Cl)n2)c(C#N)s1 ZINC000283795651 131024697 /nfs/dbraw/zinc/02/46/97/131024697.db2.gz AGDKLCIKZWDLTP-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM N#C[C@H]([N-]C(=O)c1c(F)cc(F)cc1F)c1ccccc1Cl ZINC000179547285 331526893 /nfs/dbraw/zinc/52/68/93/331526893.db2.gz RAVRRTYVIIVXND-ZDUSSCGKSA-N -1 3 324.689 3.752 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C)c1[O-] ZINC000124575256 331975116 /nfs/dbraw/zinc/97/51/16/331975116.db2.gz PNEODCUMPQIOIR-UHFFFAOYSA-N -1 3 308.381 3.625 20 30 DHEDHM N#Cc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426796176 332154696 /nfs/dbraw/zinc/15/46/96/332154696.db2.gz AOFCOSIVQGQCBU-MRXNPFEDSA-N -1 3 314.772 3.517 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000293613282 335110232 /nfs/dbraw/zinc/11/02/32/335110232.db2.gz MADPLDSUCUMCJG-JOYOIKCWSA-N -1 3 303.711 3.663 20 30 DHEDHM CC(C)(C)C[C@@H](/N=C/c1ccc(O)c([O-])c1O)C(F)(F)F ZINC000182048000 333175049 /nfs/dbraw/zinc/17/50/49/333175049.db2.gz CJGUHAMKDWWWBE-NZWFQIHVSA-N -1 3 305.296 3.589 20 30 DHEDHM C=CCOc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000108868220 333211485 /nfs/dbraw/zinc/21/14/85/333211485.db2.gz WTJUXJTZLBNURN-UHFFFAOYSA-N -1 3 319.364 3.894 20 30 DHEDHM Cc1ccc(/N=C/c2ccccc2[O-])cc1C(=O)N(C)C(C)C ZINC000195212944 333321398 /nfs/dbraw/zinc/32/13/98/333321398.db2.gz JTDHKGDDQMUTEK-UDWIEESQSA-N -1 3 310.397 3.932 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@@H](C)CC2 ZINC000410984735 333616477 /nfs/dbraw/zinc/61/64/77/333616477.db2.gz LYYPPJUZTRFENA-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM N#CCCCOc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000414064419 333888345 /nfs/dbraw/zinc/88/83/45/333888345.db2.gz DTRBVJUWAGIGCQ-RMKNXTFCSA-N -1 3 321.380 3.913 20 30 DHEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2CCCC[C@H]2C(F)(F)F)c1O ZINC000287041808 334156063 /nfs/dbraw/zinc/15/60/63/334156063.db2.gz HXWJQYIVBPBLTI-AMEUCZBGSA-N -1 3 317.307 3.591 20 30 DHEDHM Cc1nc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)c(C)o1 ZINC000294196430 334206816 /nfs/dbraw/zinc/20/68/16/334206816.db2.gz VEOHQQGIFAZSRX-SNVBAGLBSA-N -1 3 315.398 3.938 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)c1cccc(OC)c1[O-] ZINC000112184288 334368529 /nfs/dbraw/zinc/36/85/29/334368529.db2.gz XIODLBGSOQYPHQ-UHFFFAOYSA-N -1 3 303.402 3.609 20 30 DHEDHM CC(C)c1ccc(C(=O)NC2CCC(C(N)=O)CC2)c([O-])c1 ZINC000331234318 334849124 /nfs/dbraw/zinc/84/91/24/334849124.db2.gz KPFJGTOGGKHQOM-UHFFFAOYSA-N -1 3 304.390 3.914 20 30 DHEDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2scc(C)c2C#N)s1 ZINC000344931832 335286137 /nfs/dbraw/zinc/28/61/37/335286137.db2.gz UTNPSUNANFLIHG-SECBINFHSA-N -1 3 321.427 3.735 20 30 DHEDHM Cc1cccc(C2(CNC(=O)c3csc(=O)[n-]3)CCCC2)c1 ZINC000329938254 336097454 /nfs/dbraw/zinc/09/74/54/336097454.db2.gz LWGASHBVPBOGMQ-UHFFFAOYSA-N -1 3 316.426 3.974 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCc1cc(Cl)ccc1Cl ZINC000532361057 336244094 /nfs/dbraw/zinc/24/40/94/336244094.db2.gz WEYVBDSDFPVNFK-UHFFFAOYSA-N -1 3 316.213 3.769 20 30 DHEDHM N#Cc1ccc([N-]c2ccn(C3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000302836040 336371279 /nfs/dbraw/zinc/37/12/79/336371279.db2.gz WENKEBJASIGHCQ-UHFFFAOYSA-N -1 3 311.345 3.912 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000127784983 337422389 /nfs/dbraw/zinc/42/23/89/337422389.db2.gz QTLHYGXUMYLDHP-UHFFFAOYSA-N -1 3 313.313 3.666 20 30 DHEDHM C=C(C)[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)OCC ZINC000274331680 337659765 /nfs/dbraw/zinc/65/97/65/337659765.db2.gz APYAHCOZBAZLCG-XJKSGUPXSA-N -1 3 303.402 3.604 20 30 DHEDHM CC[C@@](C)(C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000537638001 337952202 /nfs/dbraw/zinc/95/22/02/337952202.db2.gz CTTGDWRTYYXDKS-SFHVURJKSA-N -1 3 310.353 3.607 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430631561 338110168 /nfs/dbraw/zinc/11/01/68/338110168.db2.gz UVLADANMMMSUFW-ZDUSSCGKSA-N -1 3 314.410 3.939 20 30 DHEDHM CCc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000434645315 338222308 /nfs/dbraw/zinc/22/23/08/338222308.db2.gz KLSRBKGAUPPDLJ-QGZVFWFLSA-N -1 3 301.349 3.682 20 30 DHEDHM Cc1nc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccc1C#N ZINC000436520314 338274871 /nfs/dbraw/zinc/27/48/71/338274871.db2.gz FLGWGGZJVJCGLD-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM CCc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)c([O-])c1 ZINC000436828976 338289009 /nfs/dbraw/zinc/28/90/09/338289009.db2.gz KRDURFLNZGCSMF-QGZVFWFLSA-N -1 3 308.381 3.729 20 30 DHEDHM COc1ccc(C(=O)N[C@@H](CCCC#N)c2ccccc2)c([O-])c1 ZINC000436929175 338294083 /nfs/dbraw/zinc/29/40/83/338294083.db2.gz USAOGIBMZWGVDP-KRWDZBQOSA-N -1 3 324.380 3.566 20 30 DHEDHM CC[C@H](CC#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436964275 338296010 /nfs/dbraw/zinc/29/60/10/338296010.db2.gz HWCSYXBEESZHQU-QGZVFWFLSA-N -1 3 322.408 3.599 20 30 DHEDHM Cc1nsc([N-]C(=O)c2cc3cc(Cl)ccc3o2)c1C#N ZINC000439295812 338366415 /nfs/dbraw/zinc/36/64/15/338366415.db2.gz LRQWTXXWNAAPPD-UHFFFAOYSA-N -1 3 317.757 3.975 20 30 DHEDHM N#CCCC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459482687 339031845 /nfs/dbraw/zinc/03/18/45/339031845.db2.gz DCFCNOJUFBVYFQ-KRWDZBQOSA-N -1 3 322.412 3.584 20 30 DHEDHM CCOc1cc(NC(=O)[N-]c2snc(C)c2C#N)ccc1C ZINC000459567265 339036282 /nfs/dbraw/zinc/03/62/82/339036282.db2.gz KDGUZJYSYKBZSM-UHFFFAOYSA-N -1 3 316.386 3.674 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000462118226 339072427 /nfs/dbraw/zinc/07/24/27/339072427.db2.gz CRYRZDIBSDZBMZ-LLVKDONJSA-N -1 3 314.772 3.968 20 30 DHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(F)c(C#N)c2)c1 ZINC000469889776 339303922 /nfs/dbraw/zinc/30/39/22/339303922.db2.gz NNJSIKLNIBXODV-UHFFFAOYSA-N -1 3 312.344 3.953 20 30 DHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470602351 339323041 /nfs/dbraw/zinc/32/30/41/339323041.db2.gz OZSYMQYNMQSGGF-VIFPVBQESA-N -1 3 313.806 3.638 20 30 DHEDHM Cc1c(Br)cccc1C([O-])=C(C#N)c1ccccn1 ZINC000076824729 341214550 /nfs/dbraw/zinc/21/45/50/341214550.db2.gz ACFZZXUOLJWNLT-LBPRGKRZSA-N -1 3 315.170 3.643 20 30 DHEDHM Cc1nsc([N-]C(=O)c2nc(-c3ccccc3)oc2C)c1C#N ZINC000339172956 526714623 /nfs/dbraw/zinc/71/46/23/526714623.db2.gz WMIZJBCGUMHVAY-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM CCCC(Cc1ccccc1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736425209 598437512 /nfs/dbraw/zinc/43/75/12/598437512.db2.gz GBYOLQNELLQOSG-UHFFFAOYSA-N -1 3 320.400 3.677 20 30 DHEDHM CCCC(Cc1ccccc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736425209 598437514 /nfs/dbraw/zinc/43/75/14/598437514.db2.gz GBYOLQNELLQOSG-UHFFFAOYSA-N -1 3 320.400 3.677 20 30 DHEDHM CCCCCCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736449257 598574160 /nfs/dbraw/zinc/57/41/60/598574160.db2.gz SKSMCCUEDHVDAU-UHFFFAOYSA-N -1 3 301.394 3.556 20 30 DHEDHM CCCCCCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736449257 598574161 /nfs/dbraw/zinc/57/41/61/598574161.db2.gz SKSMCCUEDHVDAU-UHFFFAOYSA-N -1 3 301.394 3.556 20 30 DHEDHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736187429 599329668 /nfs/dbraw/zinc/32/96/68/599329668.db2.gz AKSWQCKSISNRCH-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736187429 599329671 /nfs/dbraw/zinc/32/96/71/599329671.db2.gz AKSWQCKSISNRCH-LBPRGKRZSA-N -1 3 321.409 3.733 20 30 DHEDHM N#Cc1ccc([C@H](N[C@@H]2CCSc3ccccc32)C(=O)[O-])cc1 ZINC000739106425 600591653 /nfs/dbraw/zinc/59/16/53/600591653.db2.gz MDWMYIYRPKIGPG-WBVHZDCISA-N -1 3 324.405 3.511 20 30 DHEDHM N#Cc1cccc([C@H](NCc2csc3ccccc23)C(=O)[O-])c1 ZINC000833076481 601301352 /nfs/dbraw/zinc/30/13/52/601301352.db2.gz VUNOWBRAIMATGR-KRWDZBQOSA-N -1 3 322.389 3.688 20 30 DHEDHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccccc1C#N ZINC000829027500 604650936 /nfs/dbraw/zinc/65/09/36/604650936.db2.gz NVFSSTXPTQUCNQ-SFHVURJKSA-N -1 3 308.381 3.596 20 30 DHEDHM C(=NNc1cccc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000819718488 606205165 /nfs/dbraw/zinc/20/51/65/606205165.db2.gz JPVBISCIPPGPOZ-UHFFFAOYSA-N -1 3 320.381 3.527 20 30 DHEDHM C(=NNc1cccc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000819718488 606205167 /nfs/dbraw/zinc/20/51/67/606205167.db2.gz JPVBISCIPPGPOZ-UHFFFAOYSA-N -1 3 320.381 3.527 20 30 DHEDHM C(=NNc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000819718222 606369833 /nfs/dbraw/zinc/36/98/33/606369833.db2.gz BJFOAFJMHITJDM-UHFFFAOYSA-N -1 3 320.381 3.527 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC000826402476 607883858 /nfs/dbraw/zinc/88/38/58/607883858.db2.gz VJOUMLHOSQZKRU-KTKRTIGZSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC000826402476 607883859 /nfs/dbraw/zinc/88/38/59/607883859.db2.gz VJOUMLHOSQZKRU-KTKRTIGZSA-N -1 3 316.320 3.509 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000826304973 608318386 /nfs/dbraw/zinc/31/83/86/608318386.db2.gz GESCKWISGNAARF-IXIHQHOXSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000826304973 608318388 /nfs/dbraw/zinc/31/83/88/608318388.db2.gz GESCKWISGNAARF-IXIHQHOXSA-N -1 3 322.393 3.620 20 30 DHEDHM CCC(C[C@@H](C)CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825082117 608540188 /nfs/dbraw/zinc/54/01/88/608540188.db2.gz QKZRBNJMNAVMLU-VIFPVBQESA-N -1 3 321.816 3.529 20 30 DHEDHM CCC(C[C@@H](C)CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825082117 608540189 /nfs/dbraw/zinc/54/01/89/608540189.db2.gz QKZRBNJMNAVMLU-VIFPVBQESA-N -1 3 321.816 3.529 20 30 DHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826266473 609505172 /nfs/dbraw/zinc/50/51/72/609505172.db2.gz PSWDXOHVBKJFSZ-VURMDHGXSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826266473 609505174 /nfs/dbraw/zinc/50/51/74/609505174.db2.gz PSWDXOHVBKJFSZ-VURMDHGXSA-N -1 3 324.771 3.725 20 30 DHEDHM C[C@H]1CC(=Cc2ccccc2-c2nnn[n-]2)C(=O)c2ccccc21 ZINC000824859211 946952387 /nfs/dbraw/zinc/95/23/87/946952387.db2.gz OAHIHIKWOAJMIP-PBBNAPBQSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@H]1CC(=Cc2ccccc2-c2nn[n-]n2)C(=O)c2ccccc21 ZINC000824859211 946952394 /nfs/dbraw/zinc/95/23/94/946952394.db2.gz OAHIHIKWOAJMIP-PBBNAPBQSA-N -1 3 316.364 3.640 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826284756 947817679 /nfs/dbraw/zinc/81/76/79/947817679.db2.gz DTNAYWJSAABCHH-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826284756 947817688 /nfs/dbraw/zinc/81/76/88/947817688.db2.gz DTNAYWJSAABCHH-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(F)cc(F)c2)c(OC)cc1[O-] ZINC000255080537 1013655971 /nfs/dbraw/zinc/65/59/71/1013655971.db2.gz JANKWNLWQOGLNX-ARJAWSKDSA-N -1 3 320.291 3.584 20 30 DHEDHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000331355337 1013878684 /nfs/dbraw/zinc/87/86/84/1013878684.db2.gz QNPJUWSADKCAQF-GDBMZVCRSA-N -1 3 321.442 3.964 20 30 DHEDHM CCCc1ncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000442729736 1014722559 /nfs/dbraw/zinc/72/25/59/1014722559.db2.gz LKSDVUCEMPNIGN-LLVKDONJSA-N -1 3 324.409 3.770 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000521623295 1014745703 /nfs/dbraw/zinc/74/57/03/1014745703.db2.gz QJENJZLAMWPKSB-CYBMUJFWSA-N -1 3 312.394 3.655 20 30 DHEDHM C[C@H](CC#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843779772 1014853690 /nfs/dbraw/zinc/85/36/90/1014853690.db2.gz VKKGQXPQXHUMTJ-SSDOTTSWSA-N -1 3 307.127 3.504 20 30 DHEDHM C#CC[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001588423041 983450399 /nfs/dbraw/zinc/45/03/99/983450399.db2.gz VFXCAGYDJDDWAT-KRWDZBQOSA-N -1 3 313.784 3.892 20 30 DHEDHM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@H](C)c1ccc(C#N)cc1 ZINC001596356436 983824237 /nfs/dbraw/zinc/82/42/37/983824237.db2.gz MUYGCFWWLRNVHQ-CYBMUJFWSA-N -1 3 312.369 3.741 20 30 DHEDHM C=CCCC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001588798257 984234507 /nfs/dbraw/zinc/23/45/07/984234507.db2.gz YVEPCSQCMRRNBW-GOSISDBHSA-N -1 3 310.397 3.967 20 30 DHEDHM C=CCCCS(=O)(=O)[N-]c1cc(C)ccc1C(F)(F)F ZINC000656742167 1015112657 /nfs/dbraw/zinc/11/26/57/1015112657.db2.gz HPERIRTXGZVBTF-UHFFFAOYSA-N -1 3 307.337 3.722 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cccc3cnccc23)ccc1[O-] ZINC000588423564 1015199616 /nfs/dbraw/zinc/19/96/16/1015199616.db2.gz XLCHYWSZSKVJLQ-ALCCZGGFSA-N -1 3 305.333 3.845 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1C ZINC000041533372 1015611339 /nfs/dbraw/zinc/61/13/39/1015611339.db2.gz XTDHFRXDAAKZSB-CQSZACIVSA-N -1 3 321.405 3.947 20 30 DHEDHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cccc(C#N)c2)cc1 ZINC000277250583 1016109938 /nfs/dbraw/zinc/10/99/38/1016109938.db2.gz JWUAMLORXRCVRW-LJQANCHMSA-N -1 3 322.408 3.987 20 30 DHEDHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cccc(C#N)c2)cc1 ZINC000277250578 1016110409 /nfs/dbraw/zinc/11/04/09/1016110409.db2.gz JWUAMLORXRCVRW-IBGZPJMESA-N -1 3 322.408 3.987 20 30 DHEDHM Cc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362131921 1032245348 /nfs/dbraw/zinc/24/53/48/1032245348.db2.gz YMZWSMFOURREST-CYBMUJFWSA-N -1 3 304.271 3.899 20 30 DHEDHM C=C[C@@H](CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)c1ccccc1 ZINC000089508860 1032347053 /nfs/dbraw/zinc/34/70/53/1032347053.db2.gz UIVFSUBBBIUPCH-ZDUSSCGKSA-N -1 3 322.368 3.672 20 30 DHEDHM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001147901063 1032353043 /nfs/dbraw/zinc/35/30/43/1032353043.db2.gz PQRUUJALNCUKMX-UHFFFAOYSA-N -1 3 322.151 3.526 20 30 DHEDHM CC(C)c1ccc(C(=O)N(C)Cc2cc(C#N)cs2)c([O-])c1 ZINC000887969898 1033410613 /nfs/dbraw/zinc/41/06/13/1033410613.db2.gz NJOVNEVRHCRTJT-UHFFFAOYSA-N -1 3 314.410 3.721 20 30 DHEDHM CCc1ccsc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363108 1012200707 /nfs/dbraw/zinc/20/07/07/1012200707.db2.gz JILYZOXSLDZBOU-LBPRGKRZSA-N -1 3 309.394 3.985 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000154224105 1012571436 /nfs/dbraw/zinc/57/14/36/1012571436.db2.gz RODGPDYWVJKZJJ-CUUNBHRASA-N -1 3 324.218 3.531 20 30 DHEDHM CCc1cccc(C(=O)N(CCC#N)CC(CC)CC)c1[O-] ZINC000537687311 1032644396 /nfs/dbraw/zinc/64/43/96/1032644396.db2.gz IQGXMPPUDIOCSV-UHFFFAOYSA-N -1 3 302.418 3.747 20 30 DHEDHM N#CC(=C([O-])C=C1CCC1)c1nc2ccccc2n1C(F)F ZINC000176726407 1017145935 /nfs/dbraw/zinc/14/59/35/1017145935.db2.gz DDRVKLBNSBXVCB-LLVKDONJSA-N -1 3 301.296 3.718 20 30 DHEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000255542302 1017517034 /nfs/dbraw/zinc/51/70/34/1017517034.db2.gz BJHYRAGMFJEXPP-JLVNDZCYSA-N -1 3 305.362 3.581 20 30 DHEDHM CSc1ccc(Cl)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255551515 1017655767 /nfs/dbraw/zinc/65/57/67/1017655767.db2.gz SWJNCOCERQEIMY-UHFFFAOYSA-N -1 3 309.774 3.929 20 30 DHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000353168986 1018161119 /nfs/dbraw/zinc/16/11/19/1018161119.db2.gz NQEZAMDRNPLLGT-GFCCVEGCSA-N -1 3 311.378 3.513 20 30 DHEDHM CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000764649646 1018341684 /nfs/dbraw/zinc/34/16/84/1018341684.db2.gz ROTATCDNTZYLKF-UHFFFAOYSA-N -1 3 303.293 3.666 20 30 DHEDHM C=CCOc1ccccc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000315538769 1018951822 /nfs/dbraw/zinc/95/18/22/1018951822.db2.gz WCIYAUWAFXVEQM-AWEZNQCLSA-N -1 3 317.410 3.619 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cc(Cl)c(F)c(Cl)c2)c1O ZINC000588589564 1019025638 /nfs/dbraw/zinc/02/56/38/1019025638.db2.gz UHLARSCUQQAXCY-UHFFFAOYSA-N -1 3 316.115 4.000 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(C#N)c3)n[n-]2)o1 ZINC000727636319 1019742130 /nfs/dbraw/zinc/74/21/30/1019742130.db2.gz IXVQUPQJIPFRJF-GFCCVEGCSA-N -1 3 321.336 3.768 20 30 DHEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(C#N)c3)[n-]n2)o1 ZINC000727636319 1019742144 /nfs/dbraw/zinc/74/21/44/1019742144.db2.gz IXVQUPQJIPFRJF-GFCCVEGCSA-N -1 3 321.336 3.768 20 30 DHEDHM CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1[O-] ZINC000727777289 1019776210 /nfs/dbraw/zinc/77/62/10/1019776210.db2.gz ODQCUPLJDIUORC-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1[O-] ZINC000727777289 1019776221 /nfs/dbraw/zinc/77/62/21/1019776221.db2.gz ODQCUPLJDIUORC-UHFFFAOYSA-N -1 3 313.254 3.781 20 30 DHEDHM O=C1CCCN1c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000730547500 1020003407 /nfs/dbraw/zinc/00/34/07/1020003407.db2.gz WUVHUEHSQISOAB-UHFFFAOYSA-N -1 3 314.772 3.923 20 30 DHEDHM COCc1cc(C/N=C/c2cc(Cl)ccc2[O-])ccc1F ZINC000730732766 1020019402 /nfs/dbraw/zinc/01/94/02/1020019402.db2.gz PYEQVUAXEBARIQ-DJKKODMXSA-N -1 3 307.752 3.950 20 30 DHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2)cc1 ZINC000131525949 1020180827 /nfs/dbraw/zinc/18/08/27/1020180827.db2.gz JBXQMHILDJSGHF-BLLLJJGKSA-N -1 3 310.353 3.754 20 30 DHEDHM CCNC(=O)c1ccc(N=Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000255838002 1020411373 /nfs/dbraw/zinc/41/13/73/1020411373.db2.gz CVZICTUABOYZLH-UHFFFAOYSA-N -1 3 316.788 3.854 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Oc3ccccn3)cc2)c1O ZINC000733749941 1020437108 /nfs/dbraw/zinc/43/71/08/1020437108.db2.gz GHVRUQPMIOZJRX-UHFFFAOYSA-N -1 3 322.320 3.741 20 30 DHEDHM N#CC(=C([O-])c1cnccc1Oc1ccccc1)c1ccccn1 ZINC000337325909 1032941859 /nfs/dbraw/zinc/94/18/59/1032941859.db2.gz AZBSBQRBCCOPLE-HNNXBMFYSA-N -1 3 315.332 3.759 20 30 DHEDHM COc1cc(Cl)c(Cl)cc1C([O-])=C(C#N)c1ccccn1 ZINC000175099920 1021018174 /nfs/dbraw/zinc/01/81/74/1021018174.db2.gz KAQNWOQJNFIBNZ-SNVBAGLBSA-N -1 3 321.163 3.887 20 30 DHEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)c2cccnc2c1C ZINC000743045067 1021210139 /nfs/dbraw/zinc/21/01/39/1021210139.db2.gz YCWUXUWGABBSKX-UHFFFAOYSA-N -1 3 321.380 3.504 20 30 DHEDHM COc1cc(C=NNc2ccc(Cl)nc2)cc(Cl)c1[O-] ZINC000743452506 1021295176 /nfs/dbraw/zinc/29/51/76/1021295176.db2.gz YERCOYWUERZIQU-UHFFFAOYSA-N -1 3 312.156 3.549 20 30 DHEDHM CCOc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1CO ZINC000917558076 1021296133 /nfs/dbraw/zinc/29/61/33/1021296133.db2.gz FXKYHRPOCUBICE-UHFFFAOYSA-N -1 3 305.761 3.687 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CCN1CCc2sccc2C1 ZINC000122209011 1021359150 /nfs/dbraw/zinc/35/91/50/1021359150.db2.gz HFVMXQRUQOFVRE-VCHYOVAHSA-N -1 3 320.845 3.584 20 30 DHEDHM O=C(CCc1cc(Cl)cs1)N([O-])Cc1ccc(F)cc1 ZINC000901372388 1022093081 /nfs/dbraw/zinc/09/30/81/1022093081.db2.gz XSQVJMXPIVHCQD-UHFFFAOYSA-N -1 3 313.781 3.891 20 30 DHEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000766579309 1022232494 /nfs/dbraw/zinc/23/24/94/1022232494.db2.gz JCRAARPKJZNZRB-INIZCTEOSA-N -1 3 324.371 3.622 20 30 DHEDHM C[C@@H](C#N)N(Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000853547325 1022291820 /nfs/dbraw/zinc/29/18/20/1022291820.db2.gz UGWPQUKIDMNRIL-LBPRGKRZSA-N -1 3 310.397 3.894 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cncc(Br)c2)ccc1[O-] ZINC000767359212 1022695504 /nfs/dbraw/zinc/69/55/04/1022695504.db2.gz FAGQOTPAKDICBF-RQOWECAXSA-N -1 3 318.170 3.754 20 30 DHEDHM CC(=N[N-]c1nc2cccnc2s1)c1coc(C(C)C)n1 ZINC000857217909 1022968745 /nfs/dbraw/zinc/96/87/45/1022968745.db2.gz BWYKYWRFIMJWSW-UHFFFAOYSA-N -1 3 301.375 3.639 20 30 DHEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1c(F)ccc([O-])c1F ZINC000418138263 1022970038 /nfs/dbraw/zinc/97/00/38/1022970038.db2.gz CHUTWXXYSJEGEV-MRXNPFEDSA-N -1 3 314.335 3.709 20 30 DHEDHM CC(=NNc1ccnc(Br)c1)c1ccc([O-])cc1F ZINC000769799805 1023217742 /nfs/dbraw/zinc/21/77/42/1023217742.db2.gz RRCULPMMJZNFFP-UHFFFAOYSA-N -1 3 324.153 3.525 20 30 DHEDHM COC(=O)CCc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000786026871 1023648938 /nfs/dbraw/zinc/64/89/38/1023648938.db2.gz BCIVGZSXKDBTSJ-UHFFFAOYSA-N -1 3 317.772 3.902 20 30 DHEDHM N#Cc1cccc(COC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786138944 1023667166 /nfs/dbraw/zinc/66/71/66/1023667166.db2.gz FJZPNOSVQQIICB-UHFFFAOYSA-N -1 3 309.346 3.836 20 30 DHEDHM [O-]c1ccc(Cl)c(F)c1C=NNc1nncc2ccccc21 ZINC000790144379 1024228859 /nfs/dbraw/zinc/22/88/59/1024228859.db2.gz PUBFLVRQJYZFQJ-UHFFFAOYSA-N -1 3 316.723 3.574 20 30 DHEDHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1cccc(C#N)c1 ZINC000792208574 1024648375 /nfs/dbraw/zinc/64/83/75/1024648375.db2.gz CCHKMARQNBRFHL-ZDUSSCGKSA-N -1 3 316.360 3.908 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(C#N)cc1F ZINC000772797716 1024683515 /nfs/dbraw/zinc/68/35/15/1024683515.db2.gz PMHYBCRYGAVQJK-PPLKPFPSSA-N -1 3 311.287 3.925 20 30 DHEDHM C=CCOc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263387976 1024959626 /nfs/dbraw/zinc/95/96/26/1024959626.db2.gz YGWBEMMLKYFDBS-JSGCOSHPSA-N -1 3 323.820 3.590 20 30 DHEDHM N#CC(=C([O-])c1cccc(Nc2ccccc2)c1)c1ccncn1 ZINC000354454784 1025434111 /nfs/dbraw/zinc/43/41/11/1025434111.db2.gz AGHWQFLHEPZVMU-QGZVFWFLSA-N -1 3 314.348 3.710 20 30 DHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1coc2ccccc21 ZINC000355637531 1025793886 /nfs/dbraw/zinc/79/38/86/1025793886.db2.gz TZQFIOGMMPVYMC-ZDUSSCGKSA-N -1 3 315.332 3.810 20 30 DHEDHM CC(=NNC[C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000811658399 1027045134 /nfs/dbraw/zinc/04/51/34/1027045134.db2.gz JRBUDNKPDMBBLP-CYBMUJFWSA-N -1 3 300.427 3.612 20 30 DHEDHM C=CCOc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000575233168 1027468349 /nfs/dbraw/zinc/46/83/49/1027468349.db2.gz ZQESRVABKVELCY-ZDUSSCGKSA-N -1 3 323.820 3.592 20 30 DHEDHM CCOC(=O)c1cc(-c2ccc([O-])cc2Cl)ccc1C#N ZINC001245081950 1027749332 /nfs/dbraw/zinc/74/93/32/1027749332.db2.gz NLEBDVWYZLRPLD-UHFFFAOYSA-N -1 3 301.729 3.761 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000934790997 1028109128 /nfs/dbraw/zinc/10/91/28/1028109128.db2.gz IUNBPAYUWKMOCL-MNOVXSKESA-N -1 3 309.435 3.532 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000815892241 1028648464 /nfs/dbraw/zinc/64/84/64/1028648464.db2.gz KMLGHAFCWXTVOC-HNNXBMFYSA-N -1 3 320.314 3.638 20 30 DHEDHM COc1c(O)cccc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000011332896 1028759563 /nfs/dbraw/zinc/75/95/63/1028759563.db2.gz ZILKPRMQCDPAKW-LZUGORFDSA-N -1 3 314.312 3.629 20 30 DHEDHM N#C[C@@]1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC12CCCC2 ZINC000450093408 1029192801 /nfs/dbraw/zinc/19/28/01/1029192801.db2.gz YOKFMVZAJFUJKS-OAHLLOKOSA-N -1 3 324.302 3.824 20 30 DHEDHM CCCCCCC[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001136342967 1029735131 /nfs/dbraw/zinc/73/51/31/1029735131.db2.gz IKPXVMVENGUXDD-CYBMUJFWSA-N -1 3 302.422 3.684 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CCCn1cnc2ccccc21 ZINC000005166012 1030022662 /nfs/dbraw/zinc/02/26/62/1030022662.db2.gz JJUOWPMRRPVTSW-YBFXNURJSA-N -1 3 313.788 3.905 20 30 DHEDHM CC[C@H](NCc1ccn(C2CCCC2)n1)c1cccc(C#N)c1[O-] ZINC000925570896 1030409496 /nfs/dbraw/zinc/40/94/96/1030409496.db2.gz YSQMPSDLNJTUHI-SFHVURJKSA-N -1 3 324.428 3.816 20 30 DHEDHM CN(C)c1cc(F)ccc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794941683 1030420613 /nfs/dbraw/zinc/42/06/13/1030420613.db2.gz VACITYSLDJHUET-ALCCZGGFSA-N -1 3 321.298 3.772 20 30 DHEDHM CC[C@@H](NCc1cc(F)cnc1Cl)c1cccc(C#N)c1[O-] ZINC000926501119 1030769695 /nfs/dbraw/zinc/76/96/95/1030769695.db2.gz BCBUQOROLIGNEL-CQSZACIVSA-N -1 3 319.767 3.692 20 30 DHEDHM CCOC1CC2(C[C@@H]2/N=C\c2cc(Br)ccc2[O-])C1 ZINC000871598129 1031242744 /nfs/dbraw/zinc/24/27/44/1031242744.db2.gz HBLUUEKOMDETSK-HJLJRIEISA-N -1 3 324.218 3.531 20 30 DHEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000537181907 1031525749 /nfs/dbraw/zinc/52/57/49/1031525749.db2.gz RHQCBEYMXFNIHA-SNVBAGLBSA-N -1 3 305.802 3.502 20 30 DHEDHM CCCCCCCCCCC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001144503400 1031649136 /nfs/dbraw/zinc/64/91/36/1031649136.db2.gz WDHIYAPBSUVFFN-OAHLLOKOSA-N -1 3 321.465 3.962 20 30 DHEDHM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361523961 1031969704 /nfs/dbraw/zinc/96/97/04/1031969704.db2.gz HWJIHYTVEDIURB-GOSISDBHSA-N -1 3 311.344 3.905 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000846549257 1031999191 /nfs/dbraw/zinc/99/91/91/1031999191.db2.gz IVOXOZJFNFKKEE-GHMZBOCLSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000846537625 1032003468 /nfs/dbraw/zinc/00/34/68/1032003468.db2.gz NYYRELIXSPUSJQ-LLVKDONJSA-N -1 3 301.308 3.823 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000846540475 1032004673 /nfs/dbraw/zinc/00/46/73/1032004673.db2.gz XETJXCTUBPGGFT-UHFFFAOYSA-N -1 3 304.415 3.633 20 30 DHEDHM COc1ccc(Nc2cc(-c3ccccc3[O-])no2)c(C#N)c1 ZINC001212781979 1033535349 /nfs/dbraw/zinc/53/53/49/1033535349.db2.gz VNFZNJXCGWWZDL-UHFFFAOYSA-N -1 3 307.309 3.671 20 30 DHEDHM COC1(C(C)N=Nc2nc3ccccc3[n-]c2=S)CCC1 ZINC000863125344 1034000890 /nfs/dbraw/zinc/00/08/90/1034000890.db2.gz UEDMIEDCKJUSFS-UHFFFAOYSA-N -1 3 302.403 3.649 20 30 DHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@H]1CCCCO1 ZINC000863125358 1034001323 /nfs/dbraw/zinc/00/13/23/1034001323.db2.gz UMFVGVJTWGUGEH-CYBMUJFWSA-N -1 3 302.403 3.649 20 30 DHEDHM CC(C)[C@H](Cc1ccccc1)NN=Cc1c(F)ccc([O-])c1F ZINC000794534710 1034127510 /nfs/dbraw/zinc/12/75/10/1034127510.db2.gz ATPOUZXBAGRJKS-INIZCTEOSA-N -1 3 318.367 3.861 20 30 DHEDHM N#Cc1cc(NC2=CCCN(Cc3ccccc3)C2)c([O-])cc1F ZINC001174394358 1034319383 /nfs/dbraw/zinc/31/93/83/1034319383.db2.gz IDUPANPLULUKMA-UHFFFAOYSA-N -1 3 323.371 3.605 20 30 DHEDHM N#Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1Cl ZINC001174402494 1034331546 /nfs/dbraw/zinc/33/15/46/1034331546.db2.gz JWFSLWYXXFMRMK-UHFFFAOYSA-N -1 3 310.744 3.847 20 30 DHEDHM C[C@H]1CC2(CC(/N=C\c3cc(Br)ccc3[O-])C2)CO1 ZINC000899231483 1034523230 /nfs/dbraw/zinc/52/32/30/1034523230.db2.gz DZFWZGIXQURWQT-PNLUPDRYSA-N -1 3 324.218 3.531 20 30 DHEDHM CCc1cc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)no1 ZINC000888863073 1034528300 /nfs/dbraw/zinc/52/83/00/1034528300.db2.gz ZKMKKMXMUKKQAF-NSHDSACASA-N -1 3 315.398 3.741 20 30 DHEDHM CCc1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)no1 ZINC000888870170 1034539920 /nfs/dbraw/zinc/53/99/20/1034539920.db2.gz MPZOJVBWAUKVPH-NSHDSACASA-N -1 3 315.398 3.884 20 30 DHEDHM [O-]c1ccc(Br)cc1C=Nc1cccc2c1CCO2 ZINC000794835855 1034592406 /nfs/dbraw/zinc/59/24/06/1034592406.db2.gz ZJHUAUXXALBUIH-UHFFFAOYSA-N -1 3 318.170 3.840 20 30 DHEDHM C=CCOC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001175097630 1034814260 /nfs/dbraw/zinc/81/42/60/1034814260.db2.gz REZFDZRLEAUICJ-UHFFFAOYSA-N -1 3 323.270 3.896 20 30 DHEDHM N#Cc1cc(Nc2cccc([O-])c2Br)ccc1F ZINC001176618334 1035302271 /nfs/dbraw/zinc/30/22/71/1035302271.db2.gz MUNAVNFQGWXFGK-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM O=C(C1CC(F)(F)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180723 1035377834 /nfs/dbraw/zinc/37/78/34/1035377834.db2.gz OAFREENSIGWLKI-UHFFFAOYSA-N -1 3 310.127 3.757 20 30 DHEDHM CC[C@](C)(C#N)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181021 1035378811 /nfs/dbraw/zinc/37/88/11/1035378811.db2.gz QTIBOZXTANPJPC-CYBMUJFWSA-N -1 3 301.173 3.651 20 30 DHEDHM CC(=O)c1c(C)[nH]c(C(=O)N([O-])Cc2ccccc2Cl)c1C ZINC000904186859 1035380067 /nfs/dbraw/zinc/38/00/67/1035380067.db2.gz DGSDXVDRCYLFAT-UHFFFAOYSA-N -1 3 320.776 3.519 20 30 DHEDHM O=C(N([O-])Cc1ccc(F)cc1)C12CC(c3ccccc3)(C1)C2 ZINC000904173660 1035382112 /nfs/dbraw/zinc/38/21/12/1035382112.db2.gz NXZDJPRCYFFDJW-UHFFFAOYSA-N -1 3 311.356 3.665 20 30 DHEDHM C[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccncc1 ZINC000904188782 1035382629 /nfs/dbraw/zinc/38/26/29/1035382629.db2.gz NSCSFDSMMGVMSJ-LBPRGKRZSA-N -1 3 304.777 3.647 20 30 DHEDHM CO[C@@H]1CCC[C@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193811 1035383578 /nfs/dbraw/zinc/38/35/78/1035383578.db2.gz WBBQNIZWSACYBN-GXTWGEPZSA-N -1 3 311.809 3.653 20 30 DHEDHM COC1CCC(CC(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904191163 1035384083 /nfs/dbraw/zinc/38/40/83/1035384083.db2.gz VXYXRQAMGACSMC-UHFFFAOYSA-N -1 3 311.809 3.653 20 30 DHEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485108264 1035476272 /nfs/dbraw/zinc/47/62/72/1035476272.db2.gz TVOBOLZKDSGDTL-QGZVFWFLSA-N -1 3 310.357 3.759 20 30 DHEDHM CC(C)(C)c1ncc(C(=O)[N-]c2c(C#N)oc3ccccc32)cn1 ZINC001194004062 1035795535 /nfs/dbraw/zinc/79/55/35/1035795535.db2.gz TYSNVJVSAXNAOK-UHFFFAOYSA-N -1 3 320.352 3.644 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001181112125 1035835372 /nfs/dbraw/zinc/83/53/72/1035835372.db2.gz MLOMJAUWPQWLKX-VIFPVBQESA-N -1 3 306.332 3.759 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001181112125 1035835382 /nfs/dbraw/zinc/83/53/82/1035835382.db2.gz MLOMJAUWPQWLKX-VIFPVBQESA-N -1 3 306.332 3.759 20 30 DHEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C2=CCCCC2)c1[O-] ZINC000773905841 1035864514 /nfs/dbraw/zinc/86/45/14/1035864514.db2.gz JZMRRYLPAINZEL-GRSHGNNSSA-N -1 3 302.418 3.533 20 30 DHEDHM N#C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CC2CCC1CC2 ZINC000907092869 1036147445 /nfs/dbraw/zinc/14/74/45/1036147445.db2.gz NSYJBSZDQJBWRB-CLIRUNRCSA-N -1 3 304.777 3.704 20 30 DHEDHM N#Cc1cc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)ccc1[O-] ZINC001196969209 1036650734 /nfs/dbraw/zinc/65/07/34/1036650734.db2.gz HGADSJVZVIZFIP-UHFFFAOYSA-N -1 3 321.311 3.650 20 30 DHEDHM COc1cc([O-])ccc1C(=O)Nc1sc2ccccc2c1C#N ZINC001197155003 1036699675 /nfs/dbraw/zinc/69/96/75/1036699675.db2.gz WLHDVLRPQCMNIT-UHFFFAOYSA-N -1 3 324.361 3.739 20 30 DHEDHM CCCCCCN([O-])C(=O)c1csc(N2CCCCC2)n1 ZINC001184314941 1036795953 /nfs/dbraw/zinc/79/59/53/1036795953.db2.gz OGSBAFISZLSLKG-UHFFFAOYSA-N -1 3 311.451 3.545 20 30 DHEDHM O=C(c1ccccc1-n1cccc1)N([O-])Cc1ccc(F)cc1 ZINC001184348762 1036820920 /nfs/dbraw/zinc/82/09/20/1036820920.db2.gz UEZOQHANHJGBLX-UHFFFAOYSA-N -1 3 310.328 3.648 20 30 DHEDHM N#Cc1cccc(NC(=S)Nc2cc([O-])cc(Cl)c2)c1 ZINC001197716511 1036839994 /nfs/dbraw/zinc/83/99/94/1036839994.db2.gz GYFPMQGQQQDWAQ-UHFFFAOYSA-N -1 3 303.774 3.726 20 30 DHEDHM CCc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)s1 ZINC000763104323 1037256060 /nfs/dbraw/zinc/25/60/60/1037256060.db2.gz DBBOTMWLOIZLSM-BQYQJAHWSA-N -1 3 318.394 3.929 20 30 DHEDHM CCc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000763104452 1037256122 /nfs/dbraw/zinc/25/61/22/1037256122.db2.gz DZRYFSULCLWKGM-MDZDMXLPSA-N -1 3 312.365 3.868 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)cc2)c(OC)cc1[O-] ZINC000763103674 1037256211 /nfs/dbraw/zinc/25/62/11/1037256211.db2.gz FUHGFNBTROAKEX-YVMONPNESA-N -1 3 318.756 3.959 20 30 DHEDHM N#Cc1cc(NC(=O)C[C@H]2CCc3cc(F)ccc3C2)ccc1[O-] ZINC001186161177 1037329085 /nfs/dbraw/zinc/32/90/85/1037329085.db2.gz UHSNWVSNRCMWNF-LBPRGKRZSA-N -1 3 324.355 3.537 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2cc(Cl)cc(Cl)c2)c1C#N ZINC001187119412 1037569800 /nfs/dbraw/zinc/56/98/00/1037569800.db2.gz BNDOUAHDMZLFNK-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM CC(C)(C)Oc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001187364658 1037623421 /nfs/dbraw/zinc/62/34/21/1037623421.db2.gz XLKMDTPCAYZPQK-UHFFFAOYSA-N -1 3 310.353 3.693 20 30 DHEDHM COC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1C ZINC000912961593 1037670100 /nfs/dbraw/zinc/67/01/00/1037670100.db2.gz BXMARKNXIWYCQH-UHFFFAOYSA-N -1 3 303.745 3.891 20 30 DHEDHM CC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-] ZINC000916245032 1037721200 /nfs/dbraw/zinc/72/12/00/1037721200.db2.gz PCROYIOEJJXGQY-UHFFFAOYSA-N -1 3 305.721 3.790 20 30 DHEDHM CCCCCCCCS(=O)(=O)Nc1ccc(F)c([O-])c1 ZINC001188013374 1037786977 /nfs/dbraw/zinc/78/69/77/1037786977.db2.gz VNSKPOHEOFNXKX-UHFFFAOYSA-N -1 3 303.399 3.634 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1OCC2 ZINC001188013199 1037787419 /nfs/dbraw/zinc/78/74/19/1037787419.db2.gz PVSWQYPPFFPHDF-UHFFFAOYSA-N -1 3 311.447 3.724 20 30 DHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCc2ccccc21 ZINC000045571201 1038505320 /nfs/dbraw/zinc/50/53/20/1038505320.db2.gz BFWUDCLJGXJABT-JTQLQIEISA-N -1 3 310.279 3.532 20 30 DHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCc2ccccc21 ZINC000045571201 1038505323 /nfs/dbraw/zinc/50/53/23/1038505323.db2.gz BFWUDCLJGXJABT-JTQLQIEISA-N -1 3 310.279 3.532 20 30 DHEDHM CCOc1cc(CN2CCC[C@](C)(C#N)C2)cc(Cl)c1[O-] ZINC000590959800 1038731501 /nfs/dbraw/zinc/73/15/01/1038731501.db2.gz JFJMGVDZKVXPPZ-MRXNPFEDSA-N -1 3 308.809 3.570 20 30 DHEDHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000599147121 1039055844 /nfs/dbraw/zinc/05/58/44/1039055844.db2.gz HNQPAVHWVGUWDY-CQSZACIVSA-N -1 3 308.381 3.796 20 30 DHEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442917865 338439538 /nfs/dbraw/zinc/43/95/38/338439538.db2.gz BAKLYCCNVBMPAN-CYBMUJFWSA-N -1 3 303.280 3.832 20 30 DHEDHM Cc1nc(C2CC2)oc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000273516898 130130294 /nfs/dbraw/zinc/13/02/94/130130294.db2.gz WCYLHTKWUHBHNP-UHFFFAOYSA-N -1 3 313.382 3.535 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)no1 ZINC000297903847 132039805 /nfs/dbraw/zinc/03/98/05/132039805.db2.gz REQBHYOVQLGYKC-WPRPVWTQSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1nsc([N-]C(=O)N(C)c2cc(C)cc(C)c2)c1C#N ZINC000570812515 332820924 /nfs/dbraw/zinc/82/09/24/332820924.db2.gz BRCGDINIAMHBSR-UHFFFAOYSA-N -1 3 300.387 3.608 20 30 DHEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000066394043 331886042 /nfs/dbraw/zinc/88/60/42/331886042.db2.gz SUKCUHVWADXSSR-QMMMGPOBSA-N -1 3 311.090 3.627 20 30 DHEDHM CCCOc1ccc(/C=N/C[C@](C)(O)c2ccsc2)c([O-])c1 ZINC000119100904 332363541 /nfs/dbraw/zinc/36/35/41/332363541.db2.gz WNZTZADLTBKGIV-DKFVHQPUSA-N -1 3 319.426 3.569 20 30 DHEDHM C[C@@H](CC#N)N(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183047537 333182670 /nfs/dbraw/zinc/18/26/70/333182670.db2.gz WFEAPTGQCCVCTO-HNNXBMFYSA-N -1 3 310.397 3.705 20 30 DHEDHM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)cc1C ZINC000187242180 333428169 /nfs/dbraw/zinc/42/81/69/333428169.db2.gz PAMVSOMKNUZIRA-OAHLLOKOSA-N -1 3 316.364 3.579 20 30 DHEDHM Cc1nc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)sc1C ZINC000563504430 333614921 /nfs/dbraw/zinc/61/49/21/333614921.db2.gz JJLMYQDCKNEAMR-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)c(C)o1 ZINC000411005132 333617036 /nfs/dbraw/zinc/61/70/36/333617036.db2.gz FCRVDPIRSVSDBE-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)F)c1c(Cl)cccc1Cl ZINC000264986855 333961375 /nfs/dbraw/zinc/96/13/75/333961375.db2.gz QMGXHELBRRWMAX-MRVPVSSYSA-N -1 3 311.090 3.627 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCOC2(CCC2)C1 ZINC000269027474 333997478 /nfs/dbraw/zinc/99/74/78/333997478.db2.gz KRWVYHFLFHQFHD-VZWMTCDZSA-N -1 3 324.218 3.675 20 30 DHEDHM Cc1nc(C(=O)[N-]c2ccccc2SCCC#N)c(C)o1 ZINC000293454499 334198125 /nfs/dbraw/zinc/19/81/25/334198125.db2.gz QJTIFBBKNNFTHT-UHFFFAOYSA-N -1 3 301.371 3.550 20 30 DHEDHM CC1(C#N)CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000296890057 334237602 /nfs/dbraw/zinc/23/76/02/334237602.db2.gz XXUIOFNKXOXXMW-UHFFFAOYSA-N -1 3 322.408 3.630 20 30 DHEDHM Cc1csc([N-]C(=O)c2csc(C(F)(F)F)n2)c1C#N ZINC000344919783 335288939 /nfs/dbraw/zinc/28/89/39/335288939.db2.gz DVFWGRQKTRTHTO-UHFFFAOYSA-N -1 3 317.317 3.656 20 30 DHEDHM N#Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1F ZINC000345397552 335323093 /nfs/dbraw/zinc/32/30/93/335323093.db2.gz JMEPBLKPENGPFU-UHFFFAOYSA-N -1 3 316.307 3.503 20 30 DHEDHM O=C(NCc1ccc([O-])c(F)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329769951 336079710 /nfs/dbraw/zinc/07/97/10/336079710.db2.gz IHIZRYZNMGCBQG-BFHYXJOUSA-N -1 3 306.381 3.504 20 30 DHEDHM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329959269 336099918 /nfs/dbraw/zinc/09/99/18/336099918.db2.gz RAOLXLBQJFLCJE-QMTHXVAHSA-N -1 3 302.399 3.867 20 30 DHEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000330007390 336105318 /nfs/dbraw/zinc/10/53/18/336105318.db2.gz DMLIAILUTGLKMV-UHFFFAOYSA-N -1 3 320.418 3.622 20 30 DHEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000330032729 336107710 /nfs/dbraw/zinc/10/77/10/336107710.db2.gz VBEHGLGQHVTCKT-UHFFFAOYSA-N -1 3 306.391 3.547 20 30 DHEDHM CCc1nc(C(=O)[N-]c2ccccc2SCCC#N)c(C)o1 ZINC000352717914 336232033 /nfs/dbraw/zinc/23/20/33/336232033.db2.gz DFGITIZYGBYXCH-UHFFFAOYSA-N -1 3 315.398 3.804 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cc1F ZINC000361541824 336761610 /nfs/dbraw/zinc/76/16/10/336761610.db2.gz TXGYKUSTGROCHX-HNNXBMFYSA-N -1 3 320.323 3.873 20 30 DHEDHM C=CCSc1ccccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000362415799 336796373 /nfs/dbraw/zinc/79/63/73/336796373.db2.gz DLVYHWLKPGRNDQ-UHFFFAOYSA-N -1 3 300.383 3.626 20 30 DHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(O)cc1[O-] ZINC000193978438 337080969 /nfs/dbraw/zinc/08/09/69/337080969.db2.gz MRTCXXOAKPMCTM-UHFFFAOYSA-N -1 3 323.801 3.641 20 30 DHEDHM Cc1onc(-c2ccccc2)c1C([O-])=C(C#N)c1ccccn1 ZINC000046440465 337425489 /nfs/dbraw/zinc/42/54/89/337425489.db2.gz KEOGQXDPRSSWPC-CQSZACIVSA-N -1 3 303.321 3.535 20 30 DHEDHM C=CCCC1(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000527230656 337739072 /nfs/dbraw/zinc/73/90/72/337739072.db2.gz FDGTWGKRMZWYFR-UHFFFAOYSA-N -1 3 310.191 3.840 20 30 DHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn3ccccc3n2)s1 ZINC000430603343 338109761 /nfs/dbraw/zinc/10/97/61/338109761.db2.gz YFWAHSFTTCMXIX-NSHDSACASA-N -1 3 324.409 3.578 20 30 DHEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000431195952 338125635 /nfs/dbraw/zinc/12/56/35/338125635.db2.gz JQBBGXHXLAQJDO-UHFFFAOYSA-N -1 3 318.398 3.537 20 30 DHEDHM C=CCN(CCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000431787645 338138902 /nfs/dbraw/zinc/13/89/02/338138902.db2.gz WMTORAOGCWMYIQ-UHFFFAOYSA-N -1 3 315.800 3.917 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc3ccsc3s2)c(F)c1 ZINC000446183233 338522528 /nfs/dbraw/zinc/52/25/28/338522528.db2.gz PKAOETJRBPHYKO-UHFFFAOYSA-N -1 3 321.333 3.760 20 30 DHEDHM Cc1nc2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cc2s1 ZINC000433107243 338182100 /nfs/dbraw/zinc/18/21/00/338182100.db2.gz VNJUAPMYAVWNLY-CYBMUJFWSA-N -1 3 322.393 3.502 20 30 DHEDHM CCc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c([O-])c1 ZINC000436814934 338288358 /nfs/dbraw/zinc/28/83/58/338288358.db2.gz IYQFZDIZYJDVQB-OAHLLOKOSA-N -1 3 314.772 3.603 20 30 DHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440399376 338386729 /nfs/dbraw/zinc/38/67/29/338386729.db2.gz RARJHYWQONDCHL-NSHDSACASA-N -1 3 309.818 3.736 20 30 DHEDHM C[C@@H](C(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F ZINC000447707710 338563867 /nfs/dbraw/zinc/56/38/67/338563867.db2.gz PBDWEGDIWOPRPM-CDUCUWFYSA-N -1 3 317.204 3.586 20 30 DHEDHM CCOc1cc(CN(C[C@@H](C)C#N)C2CC2)cc(Cl)c1[O-] ZINC000459351711 339023747 /nfs/dbraw/zinc/02/37/47/339023747.db2.gz JVQBMCSPLWIJDF-NSHDSACASA-N -1 3 308.809 3.568 20 30 DHEDHM C=CCC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000459389483 339026550 /nfs/dbraw/zinc/02/65/50/339026550.db2.gz QNZFNJKPZCKCIT-QGZVFWFLSA-N -1 3 309.413 3.857 20 30 DHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000470602350 339323051 /nfs/dbraw/zinc/32/30/51/339323051.db2.gz OZSYMQYNMQSGGF-SECBINFHSA-N -1 3 313.806 3.638 20 30 DHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000473143343 339382539 /nfs/dbraw/zinc/38/25/39/339382539.db2.gz XIENJQPCOOWEBA-OALUTQOASA-N -1 3 310.372 3.803 20 30 DHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000523880705 340643663 /nfs/dbraw/zinc/64/36/63/340643663.db2.gz RVXDOSUJFGCTAS-VIFPVBQESA-N -1 3 308.230 3.545 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)o1 ZINC000073477529 341117207 /nfs/dbraw/zinc/11/72/07/341117207.db2.gz DVXPKXCGUYWCHR-JTQLQIEISA-N -1 3 315.398 3.796 20 30 DHEDHM N#Cc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000084387082 341359499 /nfs/dbraw/zinc/35/94/99/341359499.db2.gz KTUXMFJBLLKMFF-UHFFFAOYSA-N -1 3 312.272 3.596 20 30 DHEDHM CC(C)c1cc(C(=O)NCC2(C#N)CC2)c([O-])c(C(C)C)c1 ZINC000567061608 341577549 /nfs/dbraw/zinc/57/75/49/341577549.db2.gz KUDXIEQMASAKFE-UHFFFAOYSA-N -1 3 300.402 3.673 20 30 DHEDHM CCCc1ncc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000172679045 521555648 /nfs/dbraw/zinc/55/56/48/521555648.db2.gz MMKIXCYMXMNVEK-UHFFFAOYSA-N -1 3 317.439 3.770 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2noc3c2CCCCC3)s1 ZINC000126751027 523746712 /nfs/dbraw/zinc/74/67/12/523746712.db2.gz ANHGNIXOHHLMHB-UHFFFAOYSA-N -1 3 315.398 3.691 20 30 DHEDHM C[C@@H](SCc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736191315 599326286 /nfs/dbraw/zinc/32/62/86/599326286.db2.gz HZOYJSHJMADTHC-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736191315 599326289 /nfs/dbraw/zinc/32/62/89/599326289.db2.gz HZOYJSHJMADTHC-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM N#Cc1ccc([C@H](N[C@H]2CCSc3ccccc32)C(=O)[O-])cc1 ZINC000739106424 600591529 /nfs/dbraw/zinc/59/15/29/600591529.db2.gz MDWMYIYRPKIGPG-RDJZCZTQSA-N -1 3 324.405 3.511 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000827718738 600762157 /nfs/dbraw/zinc/76/21/57/600762157.db2.gz XDHTVAAGEGAHCH-MEDUHNTESA-N -1 3 314.772 3.688 20 30 DHEDHM CC(C)N(Cc1ccsc1C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000826952001 601810330 /nfs/dbraw/zinc/81/03/30/601810330.db2.gz YZJAMGICJILXJL-UHFFFAOYSA-N -1 3 314.410 3.729 20 30 DHEDHM C=CCSCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833378438 605068176 /nfs/dbraw/zinc/06/81/76/605068176.db2.gz NKKOEEVAFAEPED-GFCCVEGCSA-N -1 3 320.241 3.628 20 30 DHEDHM CCCc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821138504 606303329 /nfs/dbraw/zinc/30/33/29/606303329.db2.gz ATOVLDSZBLDLEH-HJWRWDBZSA-N -1 3 324.409 3.777 20 30 DHEDHM CCCc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821138504 606303331 /nfs/dbraw/zinc/30/33/31/606303331.db2.gz ATOVLDSZBLDLEH-HJWRWDBZSA-N -1 3 324.409 3.777 20 30 DHEDHM O=C1c2ccccc2CCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498597 606303506 /nfs/dbraw/zinc/30/35/06/606303506.db2.gz VWIMZSCITJCVTJ-XYOKQWHBSA-N -1 3 322.393 3.531 20 30 DHEDHM O=C1c2ccccc2CCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823498597 606303508 /nfs/dbraw/zinc/30/35/08/606303508.db2.gz VWIMZSCITJCVTJ-XYOKQWHBSA-N -1 3 322.393 3.531 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000826305125 608317966 /nfs/dbraw/zinc/31/79/66/608317966.db2.gz LNGJEXOGGMPVPH-XNFYSYIQSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000826304972 608318142 /nfs/dbraw/zinc/31/81/42/608318142.db2.gz GESCKWISGNAARF-FBWGLTFQSA-N -1 3 322.393 3.620 20 30 DHEDHM Cc1cccc2c1[C@H](C)C(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000826304972 608318144 /nfs/dbraw/zinc/31/81/44/608318144.db2.gz GESCKWISGNAARF-FBWGLTFQSA-N -1 3 322.393 3.620 20 30 DHEDHM CCCCCCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825270702 608540583 /nfs/dbraw/zinc/54/05/83/608540583.db2.gz BSVVPGZPOSZVCY-UHFFFAOYSA-N -1 3 321.816 3.673 20 30 DHEDHM CCCCCCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825270702 608540585 /nfs/dbraw/zinc/54/05/85/608540585.db2.gz BSVVPGZPOSZVCY-UHFFFAOYSA-N -1 3 321.816 3.673 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(C)c1F ZINC000826257042 947742470 /nfs/dbraw/zinc/74/24/70/947742470.db2.gz LDSMMOMIXJZXBY-FPLPWBNLSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(C)c1F ZINC000826257042 947742477 /nfs/dbraw/zinc/74/24/77/947742477.db2.gz LDSMMOMIXJZXBY-FPLPWBNLSA-N -1 3 322.343 3.519 20 30 DHEDHM C#CCN(Cc1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001588432185 958276219 /nfs/dbraw/zinc/27/62/19/958276219.db2.gz CLDRBPTUUHPPML-IBGZPJMESA-N -1 3 305.377 3.508 20 30 DHEDHM COCCOc1cccc(/C=C/C(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231207 1013287571 /nfs/dbraw/zinc/28/75/71/1013287571.db2.gz JWCMRCFSWWZOJO-SOFGYWHQSA-N -1 3 312.365 3.622 20 30 DHEDHM N#Cc1ccc(Br)cc1Nc1ccc(F)cc1[O-] ZINC001210018678 1013479264 /nfs/dbraw/zinc/47/92/64/1013479264.db2.gz PXQQKYMLELAAMI-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM CC(=O)Nc1ccc([O-])c(C(=O)NC2CCC(C)(C)CC2)c1 ZINC000330461949 1013817125 /nfs/dbraw/zinc/81/71/25/1013817125.db2.gz SKELENIAJJKPIM-UHFFFAOYSA-N -1 3 304.390 3.624 20 30 DHEDHM N#CC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCCCC1 ZINC000125302649 1013827379 /nfs/dbraw/zinc/82/73/79/1013827379.db2.gz MEJITGZKBLQPLO-UHFFFAOYSA-N -1 3 312.291 3.824 20 30 DHEDHM CC(=O)c1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc1[O-] ZINC000331362080 1013878825 /nfs/dbraw/zinc/87/88/25/1013878825.db2.gz ZVINRKUUWKPTHD-NSHDSACASA-N -1 3 311.328 3.725 20 30 DHEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2)cn1)c1ccccn1 ZINC000580151400 1014044881 /nfs/dbraw/zinc/04/48/81/1014044881.db2.gz BADZCOYDVFYEAR-MRXNPFEDSA-N -1 3 315.332 3.759 20 30 DHEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(C)ccc1[O-] ZINC000050178443 1014103486 /nfs/dbraw/zinc/10/34/86/1014103486.db2.gz WKAMUKWVDUKVRN-UHFFFAOYSA-N -1 3 321.336 3.517 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2cccc(Oc3ccncc3)c2)c1O ZINC000255276745 1014583036 /nfs/dbraw/zinc/58/30/36/1014583036.db2.gz YPEQDIXYQLMOBI-UHFFFAOYSA-N -1 3 322.320 3.741 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])c(CC)o1 ZINC000902178265 980770480 /nfs/dbraw/zinc/77/04/80/980770480.db2.gz NYUJFMAZUVJNLW-UHFFFAOYSA-N -1 3 313.397 3.771 20 30 DHEDHM C=CCN(Cc1ccc(/C=C\C(=O)[O-])o1)CC1CCCCC1 ZINC000902252149 980798577 /nfs/dbraw/zinc/79/85/77/980798577.db2.gz CBKKSIGUMBBXMJ-KHPPLWFESA-N -1 3 303.402 3.946 20 30 DHEDHM CCN(CCO)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255315507 1014937008 /nfs/dbraw/zinc/93/70/08/1014937008.db2.gz KQAHVMBOZJNHTH-UHFFFAOYSA-N -1 3 318.804 3.615 20 30 DHEDHM C[C@@H](C/N=C\c1cc(Br)ccc1[O-])c1ccncc1 ZINC000749843170 1015052722 /nfs/dbraw/zinc/05/27/22/1015052722.db2.gz AIYMMXCQRFWLBK-TZQXVGBESA-N -1 3 319.202 3.772 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2ccncc2)cc(Cl)c1[O-] ZINC000255333893 1015092394 /nfs/dbraw/zinc/09/23/94/1015092394.db2.gz FCKXPBZNXVVWDQ-ARJAWSKDSA-N -1 3 303.745 3.735 20 30 DHEDHM CC(C)C1(C)CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001591062508 991508076 /nfs/dbraw/zinc/50/80/76/991508076.db2.gz WXKPWLDJMHGRIA-UHFFFAOYSA-N -1 3 300.402 3.515 20 30 DHEDHM CC(C)CC[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001591229264 992110256 /nfs/dbraw/zinc/11/02/56/992110256.db2.gz WQDZKDLIRQTPGP-HNNXBMFYSA-N -1 3 300.402 3.657 20 30 DHEDHM C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001593207262 994215475 /nfs/dbraw/zinc/21/54/75/994215475.db2.gz BINCORAKIRZQTH-KSSFIOAISA-N -1 3 323.396 3.866 20 30 DHEDHM CCCOc1ccc(N=Cc2ccc(O)c([O-])c2O)c(C)c1 ZINC000255449545 1016188948 /nfs/dbraw/zinc/18/89/48/1016188948.db2.gz PCVKHRVPDGAGBU-UHFFFAOYSA-N -1 3 301.342 3.651 20 30 DHEDHM COc1cc(C(=O)/C=C\c2sccc2C)c(OC)cc1[O-] ZINC000255495945 1016473430 /nfs/dbraw/zinc/47/34/30/1016473430.db2.gz UNIAFTYGLXCKRU-PLNGDYQASA-N -1 3 304.367 3.675 20 30 DHEDHM Cc1ccc(C#N)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528591 1016977836 /nfs/dbraw/zinc/97/78/36/1016977836.db2.gz VVMANPUFPNQLLT-UHFFFAOYSA-N -1 3 324.771 3.781 20 30 DHEDHM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846946701 1032153592 /nfs/dbraw/zinc/15/35/92/1032153592.db2.gz VCTHKBDRDVOBER-CYBMUJFWSA-N -1 3 324.371 3.620 20 30 DHEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000119030133 1032253297 /nfs/dbraw/zinc/25/32/97/1032253297.db2.gz RUNJNFZRQLQGCW-AWEZNQCLSA-N -1 3 324.380 3.806 20 30 DHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(Cl)ccc1F ZINC001148426956 1032394113 /nfs/dbraw/zinc/39/41/13/1032394113.db2.gz HZEWQJILDYHMJT-UHFFFAOYSA-N -1 3 310.662 3.881 20 30 DHEDHM CC(C)(C)OC(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000093244570 1032527168 /nfs/dbraw/zinc/52/71/68/1032527168.db2.gz GAQUWQNWZRVPMM-HNNXBMFYSA-N -1 3 322.364 3.527 20 30 DHEDHM N#Cc1ncc(Nc2cc(F)c([O-])c(F)c2)cc1C(F)(F)F ZINC001213374842 1017732681 /nfs/dbraw/zinc/73/26/81/1017732681.db2.gz BWWDGUUTSYMJNW-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc3ccccc32)c1[O-] ZINC000005111063 1019764061 /nfs/dbraw/zinc/76/40/61/1019764061.db2.gz FISLHYCMSNPMLJ-YSRRJJCPSA-N -1 3 320.392 3.921 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccc(F)c(F)c1 ZINC000730147959 1019952277 /nfs/dbraw/zinc/95/22/77/1019952277.db2.gz XDCGLMNYGQTORN-DJKKODMXSA-N -1 3 311.715 3.822 20 30 DHEDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC000091990231 1020479607 /nfs/dbraw/zinc/47/96/07/1020479607.db2.gz USEFUOWVMGKWTJ-ZWKOTPCHSA-N -1 3 320.392 3.613 20 30 DHEDHM CCOc1cc(/C=C/C(=O)c2cnn(CC)c2)cc(Cl)c1[O-] ZINC000144699435 1020528745 /nfs/dbraw/zinc/52/87/45/1020528745.db2.gz XCZHDGIGRUTANJ-AATRIKPKSA-N -1 3 320.776 3.557 20 30 DHEDHM CCOc1cc(-c2nc3cc(C#N)ccc3[nH]2)cc(Cl)c1[O-] ZINC000123221661 1020593976 /nfs/dbraw/zinc/59/39/76/1020593976.db2.gz XLTPCZTVJHYEBS-UHFFFAOYSA-N -1 3 313.744 3.859 20 30 DHEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccccc2C(F)(F)F)c1 ZINC000776273864 1021215698 /nfs/dbraw/zinc/21/56/98/1021215698.db2.gz KKHMKDDNKBLATQ-UHFFFAOYSA-N -1 3 321.254 3.640 20 30 DHEDHM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1ccccn1 ZINC000069952319 1021442541 /nfs/dbraw/zinc/44/25/41/1021442541.db2.gz BJHYRAGMFJEXPP-BCPZQOPPSA-N -1 3 305.362 3.581 20 30 DHEDHM CCC(C)(C)CCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000744340088 1021516563 /nfs/dbraw/zinc/51/65/63/1021516563.db2.gz BVRWJOZKKVOQDG-UHFFFAOYSA-N -1 3 318.417 3.578 20 30 DHEDHM COc1ccc(OC)c(CC/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000920175005 1022075410 /nfs/dbraw/zinc/07/54/10/1022075410.db2.gz SKIIDBOIVDQMBV-ODLFYWEKSA-N -1 3 319.788 3.724 20 30 DHEDHM CCc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)no1 ZINC000887638204 1033039271 /nfs/dbraw/zinc/03/92/71/1033039271.db2.gz OYOIXKMIHIRPJJ-SECBINFHSA-N -1 3 315.398 3.547 20 30 DHEDHM CCCCCCCC[C@H](C)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893205288 1022234603 /nfs/dbraw/zinc/23/46/03/1022234603.db2.gz PATPVAVZTGCSBZ-AWEZNQCLSA-N -1 3 319.449 3.848 20 30 DHEDHM CCOc1cc(C=NOCC(C)C)cc(Br)c1[O-] ZINC000749637168 1022391539 /nfs/dbraw/zinc/39/15/39/1022391539.db2.gz ZSOBKZKLMRUJNW-UHFFFAOYSA-N -1 3 316.195 3.560 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2cscn2)cc(Cl)c1[O-] ZINC000769264838 1023110187 /nfs/dbraw/zinc/11/01/87/1023110187.db2.gz NUVAEPAWRDRJDX-ARJAWSKDSA-N -1 3 309.774 3.797 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(OC(F)F)cn1 ZINC000772152586 1023524719 /nfs/dbraw/zinc/52/47/19/1023524719.db2.gz BZJRJBLDGXUHHF-NGYBGAFCSA-N -1 3 312.703 3.661 20 30 DHEDHM CCC(=N[N-]c1[nH+]ccn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000790302624 1024278519 /nfs/dbraw/zinc/27/85/19/1024278519.db2.gz WCZZXEBJTBFQKX-UHFFFAOYSA-N -1 3 313.188 3.659 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccnc(OC(F)F)c1 ZINC000790572531 1024328726 /nfs/dbraw/zinc/32/87/26/1024328726.db2.gz AJWQWGKCAVEVHL-LSCVHKIXSA-N -1 3 312.703 3.661 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccnc(Cl)c2Cl)ccc1[O-] ZINC000791433731 1024495929 /nfs/dbraw/zinc/49/59/29/1024495929.db2.gz HSAZCLFFPVYYKF-DUXPYHPUSA-N -1 3 324.163 3.999 20 30 DHEDHM N#Cc1ccsc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC001126307039 1024610267 /nfs/dbraw/zinc/61/02/67/1024610267.db2.gz VOGDUPLYIJAISY-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM COc1cc(C=NNc2cccc(Cl)n2)cc(Cl)c1[O-] ZINC000793181672 1024926877 /nfs/dbraw/zinc/92/68/77/1024926877.db2.gz XFNUSVOKFVLBJR-UHFFFAOYSA-N -1 3 312.156 3.549 20 30 DHEDHM C=CCOc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263387977 1024961523 /nfs/dbraw/zinc/96/15/23/1024961523.db2.gz YGWBEMMLKYFDBS-OCCSQVGLSA-N -1 3 323.820 3.590 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCN(c2ccccc2F)C1 ZINC000793668277 1025141011 /nfs/dbraw/zinc/14/10/11/1025141011.db2.gz MPACYSUZXITMND-IPZKOZABSA-N -1 3 318.779 3.883 20 30 DHEDHM N#CC(=C([O-])c1cccc(Nc2ccccc2)c1)c1ccncn1 ZINC000354454777 1025435116 /nfs/dbraw/zinc/43/51/16/1025435116.db2.gz AGHWQFLHEPZVMU-KRWDZBQOSA-N -1 3 314.348 3.710 20 30 DHEDHM N#CC(=C([O-])c1cccc(Oc2ccccc2)c1)c1ccncn1 ZINC000354466985 1025437021 /nfs/dbraw/zinc/43/70/21/1025437021.db2.gz KPHHJLPIOUXLFH-QGZVFWFLSA-N -1 3 315.332 3.759 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn2ccccc12 ZINC000729643903 1025671102 /nfs/dbraw/zinc/67/11/02/1025671102.db2.gz KNGWXEBMGKKJIU-MJWAUXSNSA-N -1 3 308.312 3.562 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCCC1(F)F ZINC000806550377 1025907377 /nfs/dbraw/zinc/90/73/77/1025907377.db2.gz BVSACTQAYYNYJQ-JRUYLCMPSA-N -1 3 304.134 3.761 20 30 DHEDHM C[C@H]([N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000807897716 1026138138 /nfs/dbraw/zinc/13/81/38/1026138138.db2.gz VIOYLZWSXDGNLV-RCOVLWMOSA-N -1 3 317.204 3.783 20 30 DHEDHM CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ccccc2)cc1 ZINC000809258467 1026494103 /nfs/dbraw/zinc/49/41/03/1026494103.db2.gz URIFIONTMFMAMN-MRXNPFEDSA-N -1 3 314.335 3.722 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc1C ZINC000420232900 1026793421 /nfs/dbraw/zinc/79/34/21/1026793421.db2.gz MGMRNNOEMBEIFO-GFCCVEGCSA-N -1 3 319.286 3.602 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc3ccccc32)c1[O-] ZINC000747712730 1026996179 /nfs/dbraw/zinc/99/61/79/1026996179.db2.gz FISLHYCMSNPMLJ-MYSNOUKZSA-N -1 3 320.392 3.921 20 30 DHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccccc3)CCCC2)c1[O-] ZINC000812411052 1027270651 /nfs/dbraw/zinc/27/06/51/1027270651.db2.gz BSRYHIWRCWARER-MTJSOVHGSA-N -1 3 324.424 3.519 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCCC23CCCC3)c1[O-] ZINC000812444622 1027283516 /nfs/dbraw/zinc/28/35/16/1027283516.db2.gz KBVNCQOEQDINRU-MBTVCVBTSA-N -1 3 302.418 3.510 20 30 DHEDHM CSc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1Cl ZINC000747864186 1027680324 /nfs/dbraw/zinc/68/03/24/1027680324.db2.gz KSIPLPHGBYMAFL-UHFFFAOYSA-N -1 3 322.817 3.714 20 30 DHEDHM Cc1ccc(C#N)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000935430164 1028275355 /nfs/dbraw/zinc/27/53/55/1028275355.db2.gz VKMYXKPCFNMCMY-ZDUSSCGKSA-N -1 3 306.365 3.726 20 30 DHEDHM Cc1ccc(C#N)cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000935430161 1028275943 /nfs/dbraw/zinc/27/59/43/1028275943.db2.gz VKMYXKPCFNMCMY-CYBMUJFWSA-N -1 3 306.365 3.726 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2csc3ccccc32)nc(C)n1 ZINC000075440574 1028511264 /nfs/dbraw/zinc/51/12/64/1028511264.db2.gz UVWWOFKUKNOOPP-CYBMUJFWSA-N -1 3 307.378 3.798 20 30 DHEDHM N#Cc1cccc(NC(=O)[N-]c2cc(-c3cccs3)no2)c1 ZINC001202779063 1028841016 /nfs/dbraw/zinc/84/10/16/1028841016.db2.gz IRLKCWRZRMOTQT-UHFFFAOYSA-N -1 3 310.338 3.919 20 30 DHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cocc2C)cc1 ZINC000528921359 1028930324 /nfs/dbraw/zinc/93/03/24/1028930324.db2.gz UGFIGAPHCXZPRA-MRXNPFEDSA-N -1 3 324.380 3.892 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)nc2Cl)ccc1[O-] ZINC000779359769 1029204867 /nfs/dbraw/zinc/20/48/67/1029204867.db2.gz VVOPNBHPFUJBJW-GORDUTHDSA-N -1 3 324.163 3.999 20 30 DHEDHM CC(C)n1nccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000794939988 1030418441 /nfs/dbraw/zinc/41/84/41/1030418441.db2.gz VGSLWDOMZTZNAK-ZDIKFAODSA-N -1 3 300.333 3.692 20 30 DHEDHM CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000122387611 1030685677 /nfs/dbraw/zinc/68/56/77/1030685677.db2.gz IPGUYVCLIXCTKZ-UHFFFAOYSA-N -1 3 324.371 3.766 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(F)c(C)c2)c(OC)cc1[O-] ZINC000122515736 1030737830 /nfs/dbraw/zinc/73/78/30/1030737830.db2.gz GYDNQZXEEPPRNZ-FNORWQNLSA-N -1 3 316.328 3.753 20 30 DHEDHM CSCc1cc(C([O-])=C(C#N)c2ccccn2)ccc1F ZINC000080255801 1031329888 /nfs/dbraw/zinc/32/98/88/1031329888.db2.gz CMDWNXOYBKQQOM-ZDUSSCGKSA-N -1 3 300.358 3.574 20 30 DHEDHM Cc1ccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC001144394818 1031518098 /nfs/dbraw/zinc/51/80/98/1031518098.db2.gz WXFHVYKLQYMBMT-QGZVFWFLSA-N -1 3 322.408 3.993 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](CC2CCC2)c2ccccc2)c1[O-] ZINC000777872976 1031692773 /nfs/dbraw/zinc/69/27/73/1031692773.db2.gz DMDHSICUCROXJJ-ZIHVZMLCSA-N -1 3 324.424 3.938 20 30 DHEDHM N#CC1(CCO[N-]C(=O)CCCc2ccccc2)CCCCC1 ZINC000842028757 1031955466 /nfs/dbraw/zinc/95/54/66/1031955466.db2.gz VISMVGBBBCPMQU-UHFFFAOYSA-N -1 3 314.429 3.921 20 30 DHEDHM C=C(C)CO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000846537069 1032005625 /nfs/dbraw/zinc/00/56/25/1032005625.db2.gz HTIPNYFCCUQNBT-AVJIGQEQSA-N -1 3 317.351 3.759 20 30 DHEDHM C=CCCCCCN(C)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878123811 1033589824 /nfs/dbraw/zinc/58/98/24/1033589824.db2.gz BLXRDCSKLQPCHT-UHFFFAOYSA-N -1 3 301.390 3.620 20 30 DHEDHM CCc1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)no1 ZINC000889708107 1033735441 /nfs/dbraw/zinc/73/54/41/1033735441.db2.gz OJAGNLFQTZIZBZ-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1C[C@H]1C(F)(F)F ZINC000864347018 1034323974 /nfs/dbraw/zinc/32/39/74/1034323974.db2.gz INGMOBZZPHXZHG-CKQYODEISA-N -1 3 308.097 3.524 20 30 DHEDHM COc1ccc2cc(N=Cc3c([O-])c(C)ncc3CO)ccc2c1 ZINC000794677617 1034337955 /nfs/dbraw/zinc/33/79/55/1034337955.db2.gz WMGNREOCIPMDBQ-UHFFFAOYSA-N -1 3 322.364 3.500 20 30 DHEDHM CCOc1cc(/C=C\C(=O)c2ccnc(F)c2)cc(Cl)c1[O-] ZINC000794721086 1034434094 /nfs/dbraw/zinc/43/40/94/1034434094.db2.gz WIRKKQSUPLHFMZ-ARJAWSKDSA-N -1 3 321.735 3.875 20 30 DHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cnn(CC2CCC2)c1 ZINC000899425121 1034660559 /nfs/dbraw/zinc/66/05/59/1034660559.db2.gz FISHOHLXJBCTOX-XQRVVYSFSA-N -1 3 318.323 3.563 20 30 DHEDHM CS[C@H](C)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096508 1035036513 /nfs/dbraw/zinc/03/65/13/1035036513.db2.gz GLXJCSOQJXIUIS-MRVPVSSYSA-N -1 3 308.230 3.853 20 30 DHEDHM N#Cc1cc(Nc2ccc([O-])c(Br)c2)ccc1F ZINC001176615880 1035301347 /nfs/dbraw/zinc/30/13/47/1035301347.db2.gz RTGRIAVXSLOFMJ-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM COCCC[C@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904171358 1035381127 /nfs/dbraw/zinc/38/11/27/1035381127.db2.gz NUFKNCXLHQIWKQ-AWEZNQCLSA-N -1 3 301.386 3.620 20 30 DHEDHM O=C(c1cc2c(s1)CCOC2)N([O-])Cc1ccccc1Cl ZINC000904188614 1035382752 /nfs/dbraw/zinc/38/27/52/1035382752.db2.gz HBFNKCUZZGVINH-UHFFFAOYSA-N -1 3 323.801 3.506 20 30 DHEDHM O=C(c1ccnn1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC000904190110 1035383084 /nfs/dbraw/zinc/38/30/84/1035383084.db2.gz HDMKTFVGIQUYQN-UHFFFAOYSA-N -1 3 319.792 3.683 20 30 DHEDHM Cc1nc(C2CC2)oc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904191461 1035383960 /nfs/dbraw/zinc/38/39/60/1035383960.db2.gz ZFKVXPOYMAMRGQ-UHFFFAOYSA-N -1 3 306.749 3.545 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905003420 1035474437 /nfs/dbraw/zinc/47/44/37/1035474437.db2.gz WTZNKPLTVCSLEG-XHIUIPCDSA-N -1 3 307.699 3.574 20 30 DHEDHM CCCCn1c(=O)[n-]nc1SCC#Cc1ccc(Cl)cc1 ZINC000485273861 1035510491 /nfs/dbraw/zinc/51/04/91/1035510491.db2.gz PVYYVMLWLPTCGT-UHFFFAOYSA-N -1 3 321.833 3.581 20 30 DHEDHM Cc1cc(F)cc(C(=O)Nc2ccc([O-])c(C#N)c2)c1Cl ZINC001193312037 1035599708 /nfs/dbraw/zinc/59/97/08/1035599708.db2.gz WFZOBJQPZSTLQX-UHFFFAOYSA-N -1 3 304.708 3.617 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001181111693 1035834828 /nfs/dbraw/zinc/83/48/28/1035834828.db2.gz HZANRBWIJYFAHC-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001181111693 1035834841 /nfs/dbraw/zinc/83/48/41/1035834841.db2.gz HZANRBWIJYFAHC-LBPRGKRZSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001181111692 1035835984 /nfs/dbraw/zinc/83/59/84/1035835984.db2.gz HZANRBWIJYFAHC-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001181111692 1035836001 /nfs/dbraw/zinc/83/60/01/1035836001.db2.gz HZANRBWIJYFAHC-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM CC(C)c1ccc([N-]C(=S)NC(=O)c2ccccc2)c(C#N)c1 ZINC001195415607 1036240007 /nfs/dbraw/zinc/24/00/07/1036240007.db2.gz LQWIRRCOQZVHQL-UHFFFAOYSA-N -1 3 323.421 3.808 20 30 DHEDHM Cc1cnc(C(=O)[N-]c2c(C#N)oc3ccccc32)cc1Cl ZINC001197279654 1036736321 /nfs/dbraw/zinc/73/63/21/1036736321.db2.gz CEOFUTVTDJEGPB-UHFFFAOYSA-N -1 3 311.728 3.914 20 30 DHEDHM Cc1coc([N-]C(=O)c2ccc(-c3ccc(C#N)cc3)o2)c1C#N ZINC001197387379 1036763922 /nfs/dbraw/zinc/76/39/22/1036763922.db2.gz JHYCUOCVWUPEFP-UHFFFAOYSA-N -1 3 317.304 3.844 20 30 DHEDHM CCCCN([O-])C(=O)C(C)(C)c1ccc(OCC)c(OCC)c1 ZINC001184315162 1036797308 /nfs/dbraw/zinc/79/73/08/1036797308.db2.gz RWDZJFYFJNYKOZ-UHFFFAOYSA-N -1 3 323.433 3.780 20 30 DHEDHM O=C(c1cnc2ccccc2c1)N([O-])Cc1ccccc1Cl ZINC001184283098 1036803994 /nfs/dbraw/zinc/80/39/94/1036803994.db2.gz CVYYOVUPYIOUGC-UHFFFAOYSA-N -1 3 312.756 3.920 20 30 DHEDHM CCCCCc1cc(C(=O)N([O-])Cc2ccccc2Cl)n[nH]1 ZINC001184293459 1036806196 /nfs/dbraw/zinc/80/61/96/1036806196.db2.gz UILWMPKMPPRDTL-UHFFFAOYSA-N -1 3 321.808 3.827 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(C)ccc2F)c(OC)cc1[O-] ZINC000763104313 1037254202 /nfs/dbraw/zinc/25/42/02/1037254202.db2.gz CYWFUXIMWSNRTJ-FNORWQNLSA-N -1 3 316.328 3.753 20 30 DHEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1C ZINC001201320194 1037605946 /nfs/dbraw/zinc/60/59/46/1037605946.db2.gz RLUAWUOFTYTFEX-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM CC(=NNCc1ccccc1)c1cc(Br)ccc1[O-] ZINC000916344158 1037743705 /nfs/dbraw/zinc/74/37/05/1037743705.db2.gz PCKABTAJUPXJTD-UHFFFAOYSA-N -1 3 319.202 3.669 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1nc(F)c(F)cc1F ZINC001187993331 1037772931 /nfs/dbraw/zinc/77/29/31/1037772931.db2.gz UDHYUNUXGZQNKR-UHFFFAOYSA-N -1 3 324.368 3.601 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C)ccnc1OC ZINC001187993314 1037773306 /nfs/dbraw/zinc/77/33/06/1037773306.db2.gz SQKQSUKVTUMLNH-UHFFFAOYSA-N -1 3 314.451 3.501 20 30 DHEDHM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1cc(C#N)cnc1C ZINC001188166985 1037831638 /nfs/dbraw/zinc/83/16/38/1037831638.db2.gz HUIBNHDPZXHVGY-UHFFFAOYSA-N -1 3 309.369 3.651 20 30 DHEDHM N#Cc1cc(Nc2ccc(C(F)(F)F)cc2C#N)ccc1[O-] ZINC001201697917 1037843761 /nfs/dbraw/zinc/84/37/61/1037843761.db2.gz CFAXIDZLJADXBQ-UHFFFAOYSA-N -1 3 303.243 3.898 20 30 DHEDHM N#Cc1cccc([O-])c1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201698065 1037844189 /nfs/dbraw/zinc/84/41/89/1037844189.db2.gz HCXBPNMQUSCWHA-UHFFFAOYSA-N -1 3 303.243 3.898 20 30 DHEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001201691213 1037863402 /nfs/dbraw/zinc/86/34/02/1037863402.db2.gz GZNMMJNOVGZKOR-UHFFFAOYSA-N -1 3 320.274 3.694 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2cc(Cl)ccc2Cl)c1C#N ZINC001188961853 1038026643 /nfs/dbraw/zinc/02/66/43/1038026643.db2.gz SLJYJBXEIIRUME-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM Cc1ccc([O-])c(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000055568178 1038191124 /nfs/dbraw/zinc/19/11/24/1038191124.db2.gz SZSVRLXXNNLJHT-UHFFFAOYSA-N -1 3 310.353 3.636 20 30 DHEDHM CSc1ccc(C(=O)[N-]c2c(C#N)ccc(F)c2F)s1 ZINC001192646464 1038690571 /nfs/dbraw/zinc/69/05/71/1038690571.db2.gz HAPWYYRXXOQYGJ-UHFFFAOYSA-N -1 3 310.350 3.872 20 30 DHEDHM N#CCc1ccccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000594354701 1039754499 /nfs/dbraw/zinc/75/44/99/1039754499.db2.gz GDUPFLVFXSDXLZ-UHFFFAOYSA-N -1 3 306.365 3.589 20 30 DHEDHM N#CCC1(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000596365685 1040419227 /nfs/dbraw/zinc/41/92/27/1040419227.db2.gz JHIPTTGLYHAYKU-UHFFFAOYSA-N -1 3 311.410 3.776 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2c(c1)ncn2C ZINC000761200269 1040578557 /nfs/dbraw/zinc/57/85/57/1040578557.db2.gz OLHFALPAJPQMKC-CEXMDJMXSA-N -1 3 322.339 3.801 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3scnc3C3CC3)nc21 ZINC000534105961 1040707316 /nfs/dbraw/zinc/70/73/16/1040707316.db2.gz QHBBMLSNJFJYKE-NSHDSACASA-N -1 3 322.393 3.695 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000602228328 1040915473 /nfs/dbraw/zinc/91/54/73/1040915473.db2.gz KQCXTIWJUIUGJF-UHFFFAOYSA-N -1 3 315.398 3.691 20 30 DHEDHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H](C)C#N ZINC000598359992 1041200852 /nfs/dbraw/zinc/20/08/52/1041200852.db2.gz ZLTTTYAGGOJXCR-OAHLLOKOSA-N -1 3 322.408 3.552 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)cc(Cl)c1OC ZINC000417625465 335015762 /nfs/dbraw/zinc/01/57/62/335015762.db2.gz MIRYBJCSTUUYAS-NSHDSACASA-N -1 3 318.200 3.511 20 30 DHEDHM C=CCOc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417629339 335018311 /nfs/dbraw/zinc/01/83/11/335018311.db2.gz WZJJAKMCJCKJST-RBUKOAKNSA-N -1 3 323.392 3.654 20 30 DHEDHM C=C(C)[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000192790747 335039461 /nfs/dbraw/zinc/03/94/61/335039461.db2.gz UFAFFLVGWBJDFA-MEDUHNTESA-N -1 3 319.355 3.737 20 30 DHEDHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000272484446 130034539 /nfs/dbraw/zinc/03/45/39/130034539.db2.gz QZUNMWKSZMPNGQ-CQSZACIVSA-N -1 3 308.381 3.796 20 30 DHEDHM Cc1csc([N-]C(=O)c2csc(C(C)(C)C)n2)c1C#N ZINC000288928455 131345614 /nfs/dbraw/zinc/34/56/14/131345614.db2.gz WKACAZMQFAIFFH-UHFFFAOYSA-N -1 3 305.428 3.935 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c(C)o1 ZINC000297877135 132038146 /nfs/dbraw/zinc/03/81/46/132038146.db2.gz OFVNEXRCVBJARD-UHFFFAOYSA-N -1 3 315.398 3.746 20 30 DHEDHM CCOC(=O)Nc1ccc(N=Cc2ccccc2[O-])cc1C#N ZINC000255283172 331728454 /nfs/dbraw/zinc/72/84/54/331728454.db2.gz ALIPLSRVRKTUSC-UHFFFAOYSA-N -1 3 309.325 3.583 20 30 DHEDHM Cc1c(C(=O)/C=C/c2cc([O-])cc(F)c2)cnn1C(C)(C)C ZINC000188878568 333252895 /nfs/dbraw/zinc/25/28/95/333252895.db2.gz ZHALJMYDJYXESZ-AATRIKPKSA-N -1 3 302.349 3.687 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)o1 ZINC000411007740 333619878 /nfs/dbraw/zinc/61/98/78/333619878.db2.gz PCGSUUUMKAWLDT-UHFFFAOYSA-N -1 3 316.382 3.965 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)no1 ZINC000411024007 333622313 /nfs/dbraw/zinc/62/23/13/333622313.db2.gz YYNMAXUNRXQPSK-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1onc(C2CC2)c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000571288781 333703725 /nfs/dbraw/zinc/70/37/25/333703725.db2.gz NFEVRKGHFGKSTG-UHFFFAOYSA-N -1 3 301.371 3.663 20 30 DHEDHM Cc1nn(C)c(C)c1C(=O)/C=C/c1cc([O-])cc(C(F)(F)F)c1 ZINC000290531334 334173341 /nfs/dbraw/zinc/17/33/41/334173341.db2.gz ODBPYVCQJYNVNG-SNAWJCMRSA-N -1 3 324.302 3.657 20 30 DHEDHM CC[C@@H](C)Oc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000299169142 334253806 /nfs/dbraw/zinc/25/38/06/334253806.db2.gz QSJWCCOEESXBAR-HMASQMOLSA-N -1 3 314.385 3.516 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(-c3ccoc3)c2)nc(C)n1 ZINC000340748630 334384506 /nfs/dbraw/zinc/38/45/06/334384506.db2.gz GDWFDPPFAOWMPJ-QGZVFWFLSA-N -1 3 317.348 3.844 20 30 DHEDHM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000340859520 334390741 /nfs/dbraw/zinc/39/07/41/334390741.db2.gz NFKVHOFGVXXFPE-LBPRGKRZSA-N -1 3 313.719 3.845 20 30 DHEDHM C=CC[C@H]1N(C(=O)c2cccc(OC)c2[O-])CCCC1(C)C ZINC000443859611 338462028 /nfs/dbraw/zinc/46/20/28/338462028.db2.gz MVWXLNTVZRGKCJ-OAHLLOKOSA-N -1 3 303.402 3.608 20 30 DHEDHM Cc1cccc(C(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)c1[O-] ZINC000331227865 334843304 /nfs/dbraw/zinc/84/33/04/334843304.db2.gz FAFKOYZNQZNHOF-OAHLLOKOSA-N -1 3 301.390 3.526 20 30 DHEDHM C=CC[C@@H](CC)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000343766282 335191516 /nfs/dbraw/zinc/19/15/16/335191516.db2.gz FBDCFIKGMBYOES-SECBINFHSA-N -1 3 309.822 3.876 20 30 DHEDHM C=CC[C@H](CC)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000343766285 335191545 /nfs/dbraw/zinc/19/15/45/335191545.db2.gz FBDCFIKGMBYOES-VIFPVBQESA-N -1 3 309.822 3.876 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc3ccsc32)nc(C)n1 ZINC000343923359 335202155 /nfs/dbraw/zinc/20/21/55/335202155.db2.gz JGXLCJRLUPEMAJ-CQSZACIVSA-N -1 3 307.378 3.798 20 30 DHEDHM O=C(NC1CCC(c2ccccc2)CC1)c1csc(=O)[n-]1 ZINC000329908429 336094330 /nfs/dbraw/zinc/09/43/30/336094330.db2.gz LRTPPKCZQDTYEC-UHFFFAOYSA-N -1 3 302.399 3.880 20 30 DHEDHM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1csc(=O)[n-]1 ZINC000329951488 336099087 /nfs/dbraw/zinc/09/90/87/336099087.db2.gz MTYCGYAGSCRULU-QWHCGFSZSA-N -1 3 302.399 3.880 20 30 DHEDHM O=C(NC1CCC(C(=O)Nc2ccccc2[O-])CC1)C1CC1 ZINC000329983788 336102539 /nfs/dbraw/zinc/10/25/39/336102539.db2.gz BNOWKPVEPRKANU-UHFFFAOYSA-N -1 3 302.374 3.906 20 30 DHEDHM CCc1oc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc1C ZINC000351975865 336185119 /nfs/dbraw/zinc/18/51/19/336185119.db2.gz QPOGUPYADPFBED-GFCCVEGCSA-N -1 3 307.353 3.825 20 30 DHEDHM C=CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1OC ZINC000352021805 336189820 /nfs/dbraw/zinc/18/98/20/336189820.db2.gz REGNNQHFRNFIOX-XBXARRHUSA-N -1 3 324.380 3.803 20 30 DHEDHM N#Cc1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)ccc1F ZINC000189338515 337278803 /nfs/dbraw/zinc/27/88/03/337278803.db2.gz FIVMXILWLDXXGJ-UHFFFAOYSA-N -1 3 324.233 3.674 20 30 DHEDHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425125005 337420256 /nfs/dbraw/zinc/42/02/56/337420256.db2.gz FXGLOWYTJMHESA-CYBMUJFWSA-N -1 3 308.381 3.659 20 30 DHEDHM Cc1cccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1[O-] ZINC000436537275 338275901 /nfs/dbraw/zinc/27/59/01/338275901.db2.gz DOMWOAKIRACSFC-UHFFFAOYSA-N -1 3 322.408 3.871 20 30 DHEDHM C=C1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000436562432 338277287 /nfs/dbraw/zinc/27/72/87/338277287.db2.gz ALSFJYHVOWNZNE-UHFFFAOYSA-N -1 3 323.392 3.763 20 30 DHEDHM C=CCN(CCOC)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436591219 338278984 /nfs/dbraw/zinc/27/89/84/338278984.db2.gz VTYARYTUOCROCA-UHFFFAOYSA-N -1 3 319.445 3.914 20 30 DHEDHM N#CC1(c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2)CC1 ZINC000436806687 338288202 /nfs/dbraw/zinc/28/82/02/338288202.db2.gz IQHJPCQURDHPPO-UHFFFAOYSA-N -1 3 303.321 3.664 20 30 DHEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c([O-])c1 ZINC000436814933 338288338 /nfs/dbraw/zinc/28/83/38/338288338.db2.gz IYQFZDIZYJDVQB-HNNXBMFYSA-N -1 3 314.772 3.603 20 30 DHEDHM Cc1nc(C(=O)[N-]c2snc(C)c2C#N)c(-c2ccccc2)o1 ZINC000439287213 338366079 /nfs/dbraw/zinc/36/60/79/338366079.db2.gz VXKIFBLLZKOPMJ-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM Cc1nsc([N-]C(=O)c2cc(Cl)sc2Cl)c1C#N ZINC000439292065 338366178 /nfs/dbraw/zinc/36/61/78/338366178.db2.gz CSAIEELXKPTGRA-UHFFFAOYSA-N -1 3 318.210 3.944 20 30 DHEDHM Cc1nsc([N-]C(=O)c2c(C)onc2-c2ccccc2)c1C#N ZINC000439296819 338366319 /nfs/dbraw/zinc/36/63/19/338366319.db2.gz KZKLAAOMWZWVMY-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000459306054 339020488 /nfs/dbraw/zinc/02/04/88/339020488.db2.gz PTOLJDZCCIBRLA-CYBMUJFWSA-N -1 3 322.412 3.514 20 30 DHEDHM CC(C)CCN(CCC#N)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459370167 339025281 /nfs/dbraw/zinc/02/52/81/339025281.db2.gz XDWXRHBLGCGTNQ-UHFFFAOYSA-N -1 3 324.428 3.611 20 30 DHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000470650171 339324093 /nfs/dbraw/zinc/32/40/93/339324093.db2.gz QDFRAZXVQFNZPU-UHFFFAOYSA-N -1 3 311.381 3.619 20 30 DHEDHM N#C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000471641312 339350233 /nfs/dbraw/zinc/35/02/33/339350233.db2.gz FFYQNPQADCTQRW-QGZVFWFLSA-N -1 3 320.323 3.679 20 30 DHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000546056680 341152959 /nfs/dbraw/zinc/15/29/59/341152959.db2.gz CRVIUOBAIJCLEV-SNVBAGLBSA-N -1 3 308.230 3.626 20 30 DHEDHM N#CCc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000081458326 341291539 /nfs/dbraw/zinc/29/15/39/341291539.db2.gz GLDADTAIYYCLAI-UHFFFAOYSA-N -1 3 320.270 3.729 20 30 DHEDHM N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000081459111 341291555 /nfs/dbraw/zinc/29/15/55/341291555.db2.gz VYBRLDAXMJREMO-UHFFFAOYSA-N -1 3 306.243 3.535 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(C)s1 ZINC000822162031 606303938 /nfs/dbraw/zinc/30/39/38/606303938.db2.gz WQAKPFKRCQMWDO-ARJAWSKDSA-N -1 3 316.411 3.503 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(C)s1 ZINC000822162031 606303941 /nfs/dbraw/zinc/30/39/41/606303941.db2.gz WQAKPFKRCQMWDO-ARJAWSKDSA-N -1 3 316.411 3.503 20 30 DHEDHM Cc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822193385 606389030 /nfs/dbraw/zinc/38/90/30/606389030.db2.gz VTLNNXONSFVMOO-GQCTYLIASA-N -1 3 324.409 3.750 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826264270 609271839 /nfs/dbraw/zinc/27/18/39/609271839.db2.gz HZAHHBABHXVCBF-ZZXKWVIFSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826264270 609271842 /nfs/dbraw/zinc/27/18/42/609271842.db2.gz HZAHHBABHXVCBF-ZZXKWVIFSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826266698 609504999 /nfs/dbraw/zinc/50/49/99/609504999.db2.gz YBBVIKCALOZIQA-OQFOIZHKSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826266698 609505001 /nfs/dbraw/zinc/50/50/01/609505001.db2.gz YBBVIKCALOZIQA-OQFOIZHKSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000728230761 1013254631 /nfs/dbraw/zinc/25/46/31/1013254631.db2.gz HQCURSWOASULRD-UITAMQMPSA-N -1 3 304.349 3.782 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2cn3cc(Cl)ccc3n2)ccc1[O-] ZINC000728231672 1013276849 /nfs/dbraw/zinc/27/68/49/1013276849.db2.gz MZYXXXWMRUSPQZ-XQRVVYSFSA-N -1 3 312.756 3.898 20 30 DHEDHM N#Cc1ccc(C2=CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001574485857 961679847 /nfs/dbraw/zinc/67/98/47/961679847.db2.gz LDEJTGYFGWTBOH-UHFFFAOYSA-N -1 3 324.405 3.607 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2c(F)cc(OC)cc2F)s1 ZINC001125351443 1013472771 /nfs/dbraw/zinc/47/27/71/1013472771.db2.gz JTHOIPKHPWRNAA-UHFFFAOYSA-N -1 3 322.336 3.721 20 30 DHEDHM CCOc1ccc(F)c([N-]C(=O)c2ccc(C#N)s2)c1F ZINC000340424381 1013759405 /nfs/dbraw/zinc/75/94/05/1013759405.db2.gz QHGLXONOMRHFCA-UHFFFAOYSA-N -1 3 308.309 3.549 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000846536296 1014207726 /nfs/dbraw/zinc/20/77/26/1014207726.db2.gz GCGIYPPHPSOROD-NSHDSACASA-N -1 3 312.207 3.567 20 30 DHEDHM N#Cc1ccc(Cl)c(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000574817495 1014407556 /nfs/dbraw/zinc/40/75/56/1014407556.db2.gz NSFBAAWNECDHJC-UHFFFAOYSA-N -1 3 312.756 3.510 20 30 DHEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nc2ccccc2[nH]1 ZINC000255282084 1014644299 /nfs/dbraw/zinc/64/42/99/1014644299.db2.gz HDLWLJWRRHGMPB-JWJUJFCLSA-N -1 3 323.377 3.779 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(C)s2)c(OC)cc1[O-] ZINC000255308303 1014908136 /nfs/dbraw/zinc/90/81/36/1014908136.db2.gz QMQOXEKGTYACSZ-SREVYHEPSA-N -1 3 304.367 3.675 20 30 DHEDHM C=CCN(CCc1ccccc1)Cc1csc(C(=O)[O-])c1 ZINC001588829005 984311077 /nfs/dbraw/zinc/31/10/77/984311077.db2.gz XUUVHVDEXQETFJ-UHFFFAOYSA-N -1 3 301.411 3.677 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1cccc(C(=O)[O-])c1 ZINC001588832541 984323743 /nfs/dbraw/zinc/32/37/43/984323743.db2.gz IZNQWXFMHUMNIQ-UHFFFAOYSA-N -1 3 311.381 3.582 20 30 DHEDHM CC(C)[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001591087697 991610640 /nfs/dbraw/zinc/61/06/40/991610640.db2.gz QMIQWKMTEMUMIH-CQSZACIVSA-N -1 3 300.402 3.515 20 30 DHEDHM CCc1noc(C)c1C/N=C/c1cc(Br)ccc1[O-] ZINC000840707579 1015820207 /nfs/dbraw/zinc/82/02/07/1015820207.db2.gz WTQFNJKZKSNMKX-FRKPEAEDSA-N -1 3 323.190 3.633 20 30 DHEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC001593698739 996166788 /nfs/dbraw/zinc/16/67/88/996166788.db2.gz MQKCLFDIGOPAOQ-LLVKDONJSA-N -1 3 300.383 3.511 20 30 DHEDHM CC1(C)CCC(C)(C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001593873811 996685220 /nfs/dbraw/zinc/68/52/20/996685220.db2.gz BQWKWHYYADKOAV-UHFFFAOYSA-N -1 3 300.402 3.657 20 30 DHEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC000436601209 1012756472 /nfs/dbraw/zinc/75/64/72/1012756472.db2.gz CEEJCFXSLBPSNN-GFCCVEGCSA-N -1 3 321.163 3.694 20 30 DHEDHM Cc1cc(N=Cc2cc(Br)ccc2[O-])ccc1O ZINC000255029258 1013022413 /nfs/dbraw/zinc/02/24/13/1013022413.db2.gz WHVLLKJMFMSTAQ-UHFFFAOYSA-N -1 3 306.159 3.919 20 30 DHEDHM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000121868431 1017380552 /nfs/dbraw/zinc/38/05/52/1017380552.db2.gz KDFALCZARZFNMW-AWEZNQCLSA-N -1 3 318.380 3.582 20 30 DHEDHM C=CCOc1ccccc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000315538770 1018951966 /nfs/dbraw/zinc/95/19/66/1018951966.db2.gz WCIYAUWAFXVEQM-CQSZACIVSA-N -1 3 317.410 3.619 20 30 DHEDHM C[C@H](CC#N)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094107650 1019610603 /nfs/dbraw/zinc/61/06/03/1019610603.db2.gz RDZAMDFTRHZLFZ-OAHLLOKOSA-N -1 3 322.408 3.552 20 30 DHEDHM CC(=NNc1ccnc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000730148046 1019954502 /nfs/dbraw/zinc/95/45/02/1019954502.db2.gz MXAYUZWCXBKFFA-UHFFFAOYSA-N -1 3 311.772 3.852 20 30 DHEDHM COc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)ccc1O ZINC000730586263 1020007207 /nfs/dbraw/zinc/00/72/07/1020007207.db2.gz CPJMYCYJFVUOKR-MXFUOJGSSA-N -1 3 314.312 3.629 20 30 DHEDHM COc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1O ZINC000730586262 1020008166 /nfs/dbraw/zinc/00/81/66/1020008166.db2.gz CPJMYCYJFVUOKR-MKVDPYIPSA-N -1 3 314.312 3.629 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc(C2CC2)cs1 ZINC000647371906 1020218467 /nfs/dbraw/zinc/21/84/67/1020218467.db2.gz AEVPLHZQMJYSDB-OAHLLOKOSA-N -1 3 308.406 3.999 20 30 DHEDHM C=CCOc1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000008322788 1020321602 /nfs/dbraw/zinc/32/16/02/1020321602.db2.gz BYJYOVOATOBWFS-VQHVLOKHSA-N -1 3 310.349 3.862 20 30 DHEDHM CSc1ccc(C)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000073974636 1020515673 /nfs/dbraw/zinc/51/56/73/1020515673.db2.gz FUJWKVAEKCPFNR-UHFFFAOYSA-N -1 3 314.370 3.731 20 30 DHEDHM CCc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)s1 ZINC000735790639 1020768295 /nfs/dbraw/zinc/76/82/95/1020768295.db2.gz OGSFQHBSBYYRDZ-LBPRGKRZSA-N -1 3 309.394 3.985 20 30 DHEDHM CCCCCC[C@H](C)NN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000743450026 1021294701 /nfs/dbraw/zinc/29/47/01/1021294701.db2.gz DVSYPHTTWUPOJO-LBPRGKRZSA-N -1 3 323.393 3.591 20 30 DHEDHM CC(C)c1ccc([C@H](C)NN=C2c3ccc([O-])cc3NC2=O)cc1 ZINC000917550901 1021300656 /nfs/dbraw/zinc/30/06/56/1021300656.db2.gz DXIHTXKBTDBQRJ-LBPRGKRZSA-N -1 3 323.396 3.523 20 30 DHEDHM N#C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C1CCCCC1 ZINC000776372120 1021314035 /nfs/dbraw/zinc/31/40/35/1021314035.db2.gz YOJMDZXIDAIOJS-NSHDSACASA-N -1 3 301.173 3.951 20 30 DHEDHM C=C1CCC(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)CC1 ZINC000892737008 1021588021 /nfs/dbraw/zinc/58/80/21/1021588021.db2.gz UWJMCAGXEORXTI-UHFFFAOYSA-N -1 3 324.380 3.809 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)ccc1[O-] ZINC000728697147 1021672171 /nfs/dbraw/zinc/67/21/71/1021672171.db2.gz DKRCHJOXFBJNOT-VZUFXWRPSA-N -1 3 307.349 3.888 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccnc1Cl ZINC000728697991 1021676721 /nfs/dbraw/zinc/67/67/21/1021676721.db2.gz AWFNLFOQSXQPEE-LRUQUBRESA-N -1 3 303.720 3.963 20 30 DHEDHM CC(=CC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccco1 ZINC000851108421 1021739968 /nfs/dbraw/zinc/73/99/68/1021739968.db2.gz CSCSJPBDHMZXHG-GRNBYLDVSA-N -1 3 319.360 3.693 20 30 DHEDHM C[C@@H](C#N)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746080369 1021842907 /nfs/dbraw/zinc/84/29/07/1021842907.db2.gz WXJKFVMQRNFJPW-JTQLQIEISA-N -1 3 301.729 3.781 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1COC2(CCCCCC2)O1 ZINC000776725187 1022443910 /nfs/dbraw/zinc/44/39/10/1022443910.db2.gz FXYLZJIEYUPAGG-HNIBHBHRSA-N -1 3 323.820 3.930 20 30 DHEDHM C[C@H]1CCN(C(=O)/C=C\c2ccccc2C#N)c2c([O-])cccc21 ZINC000768663744 1023006063 /nfs/dbraw/zinc/00/60/63/1023006063.db2.gz PGHXJBRNCACQPW-CMUBDUJZSA-N -1 3 318.376 3.817 20 30 DHEDHM C=CCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000771835624 1023472919 /nfs/dbraw/zinc/47/29/19/1023472919.db2.gz AGWWCTMTPKBTAE-UZQMFHLOSA-N -1 3 310.397 3.714 20 30 DHEDHM CC[C@H](/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000787142384 1023763055 /nfs/dbraw/zinc/76/30/55/1023763055.db2.gz VSAOGEZSNNJEDI-KCUAXXGYSA-N -1 3 310.113 3.915 20 30 DHEDHM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3ccccn3)s2)o1 ZINC000049458651 1023853784 /nfs/dbraw/zinc/85/37/84/1023853784.db2.gz GEXGVYPZFLHBQM-GFCCVEGCSA-N -1 3 323.377 3.905 20 30 DHEDHM CC(C)n1ncc2c1C[C@@H](/N=C\c1cc(Cl)ccc1[O-])CC2 ZINC000790098389 1024222847 /nfs/dbraw/zinc/22/28/47/1024222847.db2.gz HKJMVBFKDXOSLN-VRKJEAOJSA-N -1 3 317.820 3.799 20 30 DHEDHM C=C(Br)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000105453305 1024382232 /nfs/dbraw/zinc/38/22/32/1024382232.db2.gz BRXBOPANZFURJE-UHFFFAOYSA-N -1 3 311.006 3.697 20 30 DHEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)o1 ZINC000128732332 1024392351 /nfs/dbraw/zinc/39/23/51/1024392351.db2.gz RKJSNDAHHWVEJR-INIZCTEOSA-N -1 3 324.380 3.674 20 30 DHEDHM C#CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CCCCC1 ZINC000792100099 1024625411 /nfs/dbraw/zinc/62/54/11/1024625411.db2.gz HVEDFLILYFCVCS-UHFFFAOYSA-N -1 3 307.393 3.954 20 30 DHEDHM CC(C)SCC/N=C/c1cc(Br)ccc1[O-] ZINC000804597621 1025393414 /nfs/dbraw/zinc/39/34/14/1025393414.db2.gz BTEAFVUSYHTWFB-RIYZIHGNSA-N -1 3 302.237 3.715 20 30 DHEDHM C#CCN(Cc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000804834665 1025490304 /nfs/dbraw/zinc/49/03/04/1025490304.db2.gz MBWJHLFTOSXABP-UHFFFAOYSA-N -1 3 315.372 3.821 20 30 DHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1coc2ccccc21 ZINC000355637530 1025795382 /nfs/dbraw/zinc/79/53/82/1025795382.db2.gz TZQFIOGMMPVYMC-CYBMUJFWSA-N -1 3 315.332 3.810 20 30 DHEDHM CC(C)[C@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000079700635 1025964029 /nfs/dbraw/zinc/96/40/29/1025964029.db2.gz WJTRNDPPQWOILW-JTQLQIEISA-N -1 3 312.295 3.851 20 30 DHEDHM CC(C)[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000079700635 1025964037 /nfs/dbraw/zinc/96/40/37/1025964037.db2.gz WJTRNDPPQWOILW-JTQLQIEISA-N -1 3 312.295 3.851 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-c3ccccn3)cc2)c1O ZINC000811625890 1027039184 /nfs/dbraw/zinc/03/91/84/1027039184.db2.gz YBRZOJKMDHBOGQ-UHFFFAOYSA-N -1 3 306.321 3.616 20 30 DHEDHM N#C[C@@H]1CC=C(Nc2cc(Br)cc(F)c2[O-])CC1 ZINC001212865440 1028026154 /nfs/dbraw/zinc/02/61/54/1028026154.db2.gz IWXKVBSIMWPLLK-MRVPVSSYSA-N -1 3 311.154 3.913 20 30 DHEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000578561385 1028182851 /nfs/dbraw/zinc/18/28/51/1028182851.db2.gz ASILTXIIMUREHN-SECBINFHSA-N -1 3 308.230 3.626 20 30 DHEDHM O=C1c2ccccc2CN1N=Cc1ccc2ccccc2c1[O-] ZINC000814902963 1028271826 /nfs/dbraw/zinc/27/18/26/1028271826.db2.gz ZWNBSONQLWPRSW-UHFFFAOYSA-N -1 3 302.333 3.535 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](c1cccc(F)c1)c1ccccn1 ZINC000815892242 1028648807 /nfs/dbraw/zinc/64/88/07/1028648807.db2.gz KMLGHAFCWXTVOC-OAHLLOKOSA-N -1 3 320.314 3.638 20 30 DHEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000190912428 1029208437 /nfs/dbraw/zinc/20/84/37/1029208437.db2.gz KXJBHOLBTLGGRG-CYBMUJFWSA-N -1 3 307.740 3.773 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000190942018 1029217916 /nfs/dbraw/zinc/21/79/16/1029217916.db2.gz NNTNDLFTIWCZFA-HNNXBMFYSA-N -1 3 301.349 3.737 20 30 DHEDHM C[C@H]1COC(=O)C1=N[N-]c1c(Cl)cc(Cl)cc1Cl ZINC000794857080 1029976438 /nfs/dbraw/zinc/97/64/38/1029976438.db2.gz VXDIFGZNHBMUEI-YFKPBYRVSA-N -1 3 307.564 3.608 20 30 DHEDHM COc1ccccc1C1(N[C@@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866382470 1030266353 /nfs/dbraw/zinc/26/63/53/1030266353.db2.gz PVJJOEBBBPIIQR-ZDUSSCGKSA-N -1 3 308.381 3.612 20 30 DHEDHM N#Cc1ccc(C(F)(F)F)nc1Nc1ccc([O-])c(F)c1F ZINC001212003130 1030631417 /nfs/dbraw/zinc/63/14/17/1030631417.db2.gz RBPIQXWVCVLMMG-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM Cc1cc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)oc2cc1C ZINC000079700524 1031191483 /nfs/dbraw/zinc/19/14/83/1031191483.db2.gz DXGNKCCWGNSXCP-UHFFFAOYSA-N -1 3 324.262 3.823 20 30 DHEDHM Cc1cc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)oc2cc1C ZINC000079700524 1031191489 /nfs/dbraw/zinc/19/14/89/1031191489.db2.gz DXGNKCCWGNSXCP-UHFFFAOYSA-N -1 3 324.262 3.823 20 30 DHEDHM C=CCC(C)(C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144076576 1031227332 /nfs/dbraw/zinc/22/73/32/1031227332.db2.gz BWPJTQIOGFOEAY-UHFFFAOYSA-N -1 3 318.804 3.812 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000844654433 1031269423 /nfs/dbraw/zinc/26/94/23/1031269423.db2.gz RBNCWVHOGKZXKI-GHMZBOCLSA-N -1 3 323.462 3.922 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc2c(s1)C[C@H](CCC)CC2 ZINC000844655176 1031274201 /nfs/dbraw/zinc/27/42/01/1031274201.db2.gz YKQIFCFSTICXEN-GHMZBOCLSA-N -1 3 309.435 3.676 20 30 DHEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1[O-] ZINC000536689271 1031393408 /nfs/dbraw/zinc/39/34/08/1031393408.db2.gz UJESNYCVFKDELF-HNNXBMFYSA-N -1 3 314.772 3.603 20 30 DHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CCCCCC3)nc1-2 ZINC000845478661 1031612770 /nfs/dbraw/zinc/61/27/70/1031612770.db2.gz ZMNTVHWPHTUPIP-HVHJFMEUSA-N -1 3 322.412 3.969 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC000846550853 1031997529 /nfs/dbraw/zinc/99/75/29/1031997529.db2.gz UZNNCFOABCSUAS-AWEZNQCLSA-N -1 3 303.402 3.606 20 30 DHEDHM C=C(C)CO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000846535622 1032000400 /nfs/dbraw/zinc/00/04/00/1032000400.db2.gz HNJYOBQWHJDCEL-UHFFFAOYSA-N -1 3 301.308 3.652 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000846536976 1032000678 /nfs/dbraw/zinc/00/06/78/1032000678.db2.gz DZABCHDVDUZJFJ-NSHDSACASA-N -1 3 301.308 3.823 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2ncc(Cl)cc2Cl)c1F ZINC000794471285 1033958692 /nfs/dbraw/zinc/95/86/92/1033958692.db2.gz PMLBPSDHBFSGSZ-UHFFFAOYSA-N -1 3 318.110 3.818 20 30 DHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@@H]1CCCCO1 ZINC000863125359 1034000189 /nfs/dbraw/zinc/00/01/89/1034000189.db2.gz UMFVGVJTWGUGEH-ZDUSSCGKSA-N -1 3 302.403 3.649 20 30 DHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@]1(C)CCCO1 ZINC000863125236 1034001015 /nfs/dbraw/zinc/00/10/15/1034001015.db2.gz QOFQLSWHCTYDIX-HNNXBMFYSA-N -1 3 302.403 3.649 20 30 DHEDHM C=C(Cl)C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OCC ZINC000864347421 1034323636 /nfs/dbraw/zinc/32/36/36/1034323636.db2.gz QCCHXOWZYVOLAA-OPFCKLNOSA-N -1 3 316.184 3.539 20 30 DHEDHM CC(C)Cn1nccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000567849886 1035041465 /nfs/dbraw/zinc/04/14/65/1035041465.db2.gz MQHFHWQBKNKSTO-MRXNPFEDSA-N -1 3 318.380 3.577 20 30 DHEDHM COc1cc(F)c([N-]c2onc(C(C)(C)C)c2C#N)c(F)c1 ZINC001175722401 1035092497 /nfs/dbraw/zinc/09/24/97/1035092497.db2.gz WIHBFMCASUNBOT-UHFFFAOYSA-N -1 3 307.300 3.874 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cccnc2OCc2ccccc2)c1 ZINC001175876878 1035136367 /nfs/dbraw/zinc/13/63/67/1035136367.db2.gz RDNHSAUTMNGVBA-UHFFFAOYSA-N -1 3 317.348 3.981 20 30 DHEDHM CN(Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142669521 1035265240 /nfs/dbraw/zinc/26/52/40/1035265240.db2.gz PKONZLZCUMYIDM-UHFFFAOYSA-N -1 3 314.772 3.542 20 30 DHEDHM N#Cc1cnc(Nc2cc([O-])cc(Cl)c2)c(Br)c1 ZINC001176620737 1035302783 /nfs/dbraw/zinc/30/27/83/1035302783.db2.gz LJTYJEGKYGCBCH-UHFFFAOYSA-N -1 3 324.565 3.818 20 30 DHEDHM CCC1(C(=O)N([O-])Cc2cccc3ccccc32)CCOCC1 ZINC000904172101 1035380832 /nfs/dbraw/zinc/38/08/32/1035380832.db2.gz ZAJBSXUDCLLAPC-UHFFFAOYSA-N -1 3 313.397 3.764 20 30 DHEDHM N#CC1(C(=O)N([O-])Cc2cccc3ccccc32)CC2(CC2)C1 ZINC000904172716 1035381857 /nfs/dbraw/zinc/38/18/57/1035381857.db2.gz JVJOXEOPCCQWPA-UHFFFAOYSA-N -1 3 306.365 3.642 20 30 DHEDHM CCC(CC)n1nc(C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172985 1035381894 /nfs/dbraw/zinc/38/18/94/1035381894.db2.gz FTBAXLQLRIDWIE-UHFFFAOYSA-N -1 3 319.380 3.723 20 30 DHEDHM CCC[C@@H]1C[C@@H](C(=O)N([O-])Cc2ccccc2Cl)CCO1 ZINC000904191215 1035383310 /nfs/dbraw/zinc/38/33/10/1035383310.db2.gz WDFIVIKPQAAHIQ-GXTWGEPZSA-N -1 3 311.809 3.653 20 30 DHEDHM O=C([C@@H]1CCOC2(CCC2)C1)N([O-])CCCCc1ccccc1 ZINC000904192872 1035383619 /nfs/dbraw/zinc/38/36/19/1035383619.db2.gz ZDKTZVNHZMUQCU-QGZVFWFLSA-N -1 3 317.429 3.576 20 30 DHEDHM O=C(C1CC2(CC2(F)F)C1)N([O-])CCCCc1ccccc1 ZINC000904196461 1035383802 /nfs/dbraw/zinc/38/38/02/1035383802.db2.gz VWOOMOQNIKMFFE-UHFFFAOYSA-N -1 3 309.356 3.663 20 30 DHEDHM C=CCC1(C(=O)N([O-])CCCCc2ccccc2)CCOCC1 ZINC000904196606 1035383865 /nfs/dbraw/zinc/38/38/65/1035383865.db2.gz ZPVWKDBPEQICKX-UHFFFAOYSA-N -1 3 317.429 3.600 20 30 DHEDHM O=C(C[C@@H]1CCC2(CCC2)O1)N([O-])Cc1ccccc1Cl ZINC000904192798 1035383951 /nfs/dbraw/zinc/38/39/51/1035383951.db2.gz XDYDLVLFINJIPC-ZDUSSCGKSA-N -1 3 309.793 3.550 20 30 DHEDHM Cc1noc(C)c1[C@@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904196994 1035384003 /nfs/dbraw/zinc/38/40/03/1035384003.db2.gz NQKCYEMORHMNAY-CYBMUJFWSA-N -1 3 316.401 3.636 20 30 DHEDHM CCCCCCN([O-])C(=O)CCc1cc2ccccc2[nH]c1=O ZINC000904204168 1035385583 /nfs/dbraw/zinc/38/55/83/1035385583.db2.gz GOJPTORXIQHELH-UHFFFAOYSA-N -1 3 316.401 3.671 20 30 DHEDHM Cc1nsc([N-]c2c(F)c(F)c(F)c(F)c2F)c1C#N ZINC000159034427 1035895761 /nfs/dbraw/zinc/89/57/61/1035895761.db2.gz WKOJVVBAJDECOZ-UHFFFAOYSA-N -1 3 305.231 3.762 20 30 DHEDHM Cc1c(F)ccc(F)c1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001196741951 1036605477 /nfs/dbraw/zinc/60/54/77/1036605477.db2.gz WJGCUBQJNXKLPC-UHFFFAOYSA-N -1 3 308.234 3.675 20 30 DHEDHM Cc1ncccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184234781 1036783081 /nfs/dbraw/zinc/78/30/81/1036783081.db2.gz CXXQOQBRQXUQRV-UHFFFAOYSA-N -1 3 311.168 3.728 20 30 DHEDHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)N([O-])CCCCc1ccccc1 ZINC001184305399 1036792319 /nfs/dbraw/zinc/79/23/19/1036792319.db2.gz IEYFPPNFWFPAMZ-ROUUACIJSA-N -1 3 317.429 3.575 20 30 DHEDHM O=C([C@@H]1CCOc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001184283405 1036802235 /nfs/dbraw/zinc/80/22/35/1036802235.db2.gz IJLGYYRFDOEWOY-CQSZACIVSA-N -1 3 317.772 3.624 20 30 DHEDHM C[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1Cl ZINC001184476937 1036856231 /nfs/dbraw/zinc/85/62/31/1036856231.db2.gz LSPASDOWMIZPDH-SNVBAGLBSA-N -1 3 300.745 3.659 20 30 DHEDHM CC(C)c1nc(/C=C\C(=O)c2cc(O)ccc2[O-])c2ccccn21 ZINC000762599753 1036864876 /nfs/dbraw/zinc/86/48/76/1036864876.db2.gz BHKJKMGNDHYJOV-CLFYSBASSA-N -1 3 322.364 3.765 20 30 DHEDHM Cc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c(C)c1Cl ZINC001198228365 1036980033 /nfs/dbraw/zinc/98/00/33/1036980033.db2.gz NUXGXGDHDVQMDC-UHFFFAOYSA-N -1 3 300.745 3.786 20 30 DHEDHM CC(=NNc1ccccc1)c1cc(Br)ccc1[O-] ZINC000916246047 1037720680 /nfs/dbraw/zinc/72/06/80/1037720680.db2.gz WBDXYNBWHUMFPK-UHFFFAOYSA-N -1 3 305.175 3.991 20 30 DHEDHM Cc1noc([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)c1C#N ZINC001202253108 1038118836 /nfs/dbraw/zinc/11/88/36/1038118836.db2.gz NCLKDPKBQCDJOM-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2-c2ccco2)CC1 ZINC001190815442 1038389509 /nfs/dbraw/zinc/38/95/09/1038389509.db2.gz LORKJLWYOVLNTJ-UHFFFAOYSA-N -1 3 303.383 3.797 20 30 DHEDHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000591390176 1038833962 /nfs/dbraw/zinc/83/39/62/1038833962.db2.gz ZSZAETFURPVHJA-NSHDSACASA-N -1 3 311.410 3.926 20 30 DHEDHM N#Cc1cc(-c2ccc(OCC3CCOCC3)cc2)ccc1[O-] ZINC000593953786 1039785223 /nfs/dbraw/zinc/78/52/23/1039785223.db2.gz QNWOVELWKPPRLF-UHFFFAOYSA-N -1 3 309.365 3.736 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cnc(-c2ccc(C)cc2)s1 ZINC000417621801 335017427 /nfs/dbraw/zinc/01/74/27/335017427.db2.gz GBPCZPHMVYTFMA-AWEZNQCLSA-N -1 3 316.426 3.628 20 30 DHEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccnc(F)c2F)s1 ZINC000297631393 132026538 /nfs/dbraw/zinc/02/65/38/132026538.db2.gz CAKXHBCBFMYWSN-UHFFFAOYSA-N -1 3 321.352 3.843 20 30 DHEDHM CC(C)(C)c1cc([N-]C(=O)c2ccc(Cl)nn2)c(C#N)s1 ZINC000297938817 132041349 /nfs/dbraw/zinc/04/13/49/132041349.db2.gz VJPNGDCVTRHUBL-UHFFFAOYSA-N -1 3 320.805 3.613 20 30 DHEDHM Cc1cc([N-]c2ccc(C#N)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000541329604 435644102 /nfs/dbraw/zinc/64/41/02/435644102.db2.gz MRFWRVMSHYGFAC-LLVKDONJSA-N -1 3 311.345 3.686 20 30 DHEDHM CSC1(C/N=C/c2c([O-])ccc3ccccc32)CCOCC1 ZINC000158163400 332826778 /nfs/dbraw/zinc/82/67/78/332826778.db2.gz PPOMBUJNKSJOEZ-XDHOZWIPSA-N -1 3 315.438 3.877 20 30 DHEDHM O=C1CCCCN1Cc1cccc(/N=C/c2ccccc2[O-])c1 ZINC000050234235 331748896 /nfs/dbraw/zinc/74/88/96/331748896.db2.gz MYQOXIBKEUELSE-DEDYPNTBSA-N -1 3 308.381 3.655 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)Cc2c(F)cccc2C#N)c1[O-] ZINC000518148423 331993273 /nfs/dbraw/zinc/99/32/73/331993273.db2.gz RQGOMTXYEMUMLQ-UHFFFAOYSA-N -1 3 318.735 3.546 20 30 DHEDHM C=CCC(CC=C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151563023 332204132 /nfs/dbraw/zinc/20/41/32/332204132.db2.gz IUOSVMFSIHDGBW-UHFFFAOYSA-N -1 3 324.218 3.539 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(OC(F)F)cc1 ZINC000292852584 335096484 /nfs/dbraw/zinc/09/64/84/335096484.db2.gz RNXOWYHFBUQTMM-SECBINFHSA-N -1 3 305.271 3.677 20 30 DHEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000159954951 332736444 /nfs/dbraw/zinc/73/64/44/332736444.db2.gz LUGKOGOKOCXJNM-UHFFFAOYSA-N -1 3 324.718 3.520 20 30 DHEDHM C=C[C@H](CC(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1 ZINC000580238829 333038954 /nfs/dbraw/zinc/03/89/54/333038954.db2.gz XVEVZBSWLRUKJL-CQSZACIVSA-N -1 3 309.365 3.893 20 30 DHEDHM N#CCc1ccc(NCc2cc([O-])ccc2Br)cc1 ZINC000183280953 333054202 /nfs/dbraw/zinc/05/42/02/333054202.db2.gz DNMAPAZIQKRDIA-UHFFFAOYSA-N -1 3 317.186 3.833 20 30 DHEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000160738644 333483448 /nfs/dbraw/zinc/48/34/48/333483448.db2.gz LHQZKYZDYHQYAS-UHFFFAOYSA-N -1 3 320.270 3.843 20 30 DHEDHM C=CCN(Cc1ccc(Cl)s1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411135467 333636996 /nfs/dbraw/zinc/63/69/96/333636996.db2.gz NDIYJUIBKOFZNC-NSHDSACASA-N -1 3 323.849 3.955 20 30 DHEDHM CN(C)C(=O)[C@@H]1CCC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000265138250 333963553 /nfs/dbraw/zinc/96/35/53/333963553.db2.gz MSPXTIZJUSTADH-SFFRAUMXSA-N -1 3 324.424 3.611 20 30 DHEDHM C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)c2c([O-])cccc21 ZINC000274360780 334060537 /nfs/dbraw/zinc/06/05/37/334060537.db2.gz LDBQTKHHBFCJBO-ZDUSSCGKSA-N -1 3 306.365 3.612 20 30 DHEDHM CCc1nc(C)c(C/N=C/c2cc(Br)ccc2[O-])o1 ZINC000292170804 334185140 /nfs/dbraw/zinc/18/51/40/334185140.db2.gz XHRQLLUPPBMLFK-FRKPEAEDSA-N -1 3 323.190 3.633 20 30 DHEDHM CCc1nc(C)c(C(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000293502736 334198437 /nfs/dbraw/zinc/19/84/37/334198437.db2.gz UWDZTHDWVBCKLI-UHFFFAOYSA-N -1 3 315.398 3.804 20 30 DHEDHM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000330835157 334814812 /nfs/dbraw/zinc/81/48/12/334814812.db2.gz SFECSAITSBKGBZ-UHFFFAOYSA-N -1 3 307.781 3.942 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1C1CCCCC1 ZINC000345659047 335344075 /nfs/dbraw/zinc/34/40/75/335344075.db2.gz JDQQATVKEXGNPM-OAHLLOKOSA-N -1 3 308.385 3.582 20 30 DHEDHM COc1c(F)ccc(F)c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000445670495 338505294 /nfs/dbraw/zinc/50/52/94/338505294.db2.gz RQJCRGDLTWSJOL-UHFFFAOYSA-N -1 3 322.336 3.776 20 30 DHEDHM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1csc(=O)[n-]1 ZINC000329951487 336099284 /nfs/dbraw/zinc/09/92/84/336099284.db2.gz MTYCGYAGSCRULU-CHWSQXEVSA-N -1 3 302.399 3.880 20 30 DHEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc2c(c1)CCCC2 ZINC000329971770 336101635 /nfs/dbraw/zinc/10/16/35/336101635.db2.gz YQSGLHYPIVPJMN-JTQLQIEISA-N -1 3 302.399 3.793 20 30 DHEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332599174 336175638 /nfs/dbraw/zinc/17/56/38/336175638.db2.gz LWUZAJFVXXEODD-ORAYPTAESA-N -1 3 308.381 3.748 20 30 DHEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C)c1 ZINC000063878760 336395712 /nfs/dbraw/zinc/39/57/12/336395712.db2.gz GEYITCUXXIQMGM-UHFFFAOYSA-N -1 3 314.410 3.593 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c2c(n1)onc2C(C)C ZINC000194376253 337462375 /nfs/dbraw/zinc/46/23/75/337462375.db2.gz FIJRGKFKBLSPLU-ZDUSSCGKSA-N -1 3 320.352 3.540 20 30 DHEDHM N#CC(=C([O-])c1cccc(OC2CCCC2)c1)c1ccccn1 ZINC000066729281 337542807 /nfs/dbraw/zinc/54/28/07/337542807.db2.gz ADVAZARSNKDFQL-KRWDZBQOSA-N -1 3 306.365 3.893 20 30 DHEDHM CCOc1cc(-c2noc(-c3cccc(CC#N)c3)n2)ccc1[O-] ZINC000445426308 337726738 /nfs/dbraw/zinc/72/67/38/337726738.db2.gz IVDALMLFEOYKBC-UHFFFAOYSA-N -1 3 321.336 3.574 20 30 DHEDHM CCCc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429584944 338085249 /nfs/dbraw/zinc/08/52/49/338085249.db2.gz HOJLMMZTBRJSOE-HNNXBMFYSA-N -1 3 318.380 3.709 20 30 DHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(CC#N)c2)s1 ZINC000430620937 338109942 /nfs/dbraw/zinc/10/99/42/338109942.db2.gz CNZGQLLUSNCZLO-AWEZNQCLSA-N -1 3 323.421 3.997 20 30 DHEDHM C[C@H](C#N)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436599492 338279303 /nfs/dbraw/zinc/27/93/03/338279303.db2.gz BKJNOEDSSMBKKA-SNVBAGLBSA-N -1 3 323.377 3.767 20 30 DHEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000436604417 338279479 /nfs/dbraw/zinc/27/94/79/338279479.db2.gz AMQBPKULJJHRMQ-UHFFFAOYSA-N -1 3 303.277 3.727 20 30 DHEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436688602 338283012 /nfs/dbraw/zinc/28/30/12/338283012.db2.gz LWLDEFDMERAGDS-UHFFFAOYSA-N -1 3 313.372 3.977 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(CC)ccc1[O-] ZINC000436760255 338286142 /nfs/dbraw/zinc/28/61/42/338286142.db2.gz OJRNUANEMZZDFG-UHFFFAOYSA-N -1 3 322.408 3.879 20 30 DHEDHM C=CCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436837696 338289443 /nfs/dbraw/zinc/28/94/43/338289443.db2.gz IQLFFAPBYUQDLT-UHFFFAOYSA-N -1 3 309.409 3.826 20 30 DHEDHM CC(C)(C#N)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436873818 338290995 /nfs/dbraw/zinc/29/09/95/338290995.db2.gz XXQNXZSWYPTPIR-UHFFFAOYSA-N -1 3 305.337 3.910 20 30 DHEDHM Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1[O-] ZINC000436927514 338293847 /nfs/dbraw/zinc/29/38/47/338293847.db2.gz OKWPUKQSRROCKL-UHFFFAOYSA-N -1 3 310.353 3.612 20 30 DHEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436982570 338296687 /nfs/dbraw/zinc/29/66/87/338296687.db2.gz HMIZDTOGWBRISM-UHFFFAOYSA-N -1 3 313.397 3.980 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000171426779 338539267 /nfs/dbraw/zinc/53/92/67/338539267.db2.gz PYYXEKXHKUCUPL-UHFFFAOYSA-N -1 3 301.352 3.589 20 30 DHEDHM CCCOc1ccccc1NC(=O)[N-]c1snc(C)c1C#N ZINC000459582779 339037058 /nfs/dbraw/zinc/03/70/58/339037058.db2.gz LYVYPWJEWURNAM-UHFFFAOYSA-N -1 3 316.386 3.756 20 30 DHEDHM N#Cc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)o1 ZINC000459848889 339049965 /nfs/dbraw/zinc/04/99/65/339049965.db2.gz FUUZMZPUFHJFKY-UHFFFAOYSA-N -1 3 311.366 3.606 20 30 DHEDHM Cc1c(C#N)cccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469123236 339280813 /nfs/dbraw/zinc/28/08/13/339280813.db2.gz YRSFVQLPGNPLSI-UHFFFAOYSA-N -1 3 312.344 3.673 20 30 DHEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496356379 340003756 /nfs/dbraw/zinc/00/37/56/340003756.db2.gz DWVKVEJXAPIKGV-NSHDSACASA-N -1 3 321.377 3.661 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496356379 340003757 /nfs/dbraw/zinc/00/37/57/340003757.db2.gz DWVKVEJXAPIKGV-NSHDSACASA-N -1 3 321.377 3.661 20 30 DHEDHM CC(C)c1cc(C(=O)N[C@@H](C#N)C2CC2)c([O-])c(C(C)C)c1 ZINC000505911988 340181504 /nfs/dbraw/zinc/18/15/04/340181504.db2.gz HZHFKYGJGWYNDP-INIZCTEOSA-N -1 3 300.402 3.671 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)Cc1c(F)ccc([O-])c1F ZINC000507321748 340217168 /nfs/dbraw/zinc/21/71/68/340217168.db2.gz YWQVNIKQJOYFJL-UHFFFAOYSA-N -1 3 316.351 3.954 20 30 DHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000545349601 341122748 /nfs/dbraw/zinc/12/27/48/341122748.db2.gz BFYKBZBRSLKYSK-VIFPVBQESA-N -1 3 308.230 3.626 20 30 DHEDHM C=C(C)CN(CC)Cc1ccc(OC)c([O-])c1Br ZINC000546256427 341159698 /nfs/dbraw/zinc/15/96/98/341159698.db2.gz DKUPOTHOINAUPW-UHFFFAOYSA-N -1 3 314.223 3.561 20 30 DHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc(C#N)cs2)c1 ZINC000084382774 341359387 /nfs/dbraw/zinc/35/93/87/341359387.db2.gz ZFNOPFNOCYTNLG-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)c([O-])c1 ZINC000574625677 341764117 /nfs/dbraw/zinc/76/41/17/341764117.db2.gz SZMSWGCLPNDBCW-UHFFFAOYSA-N -1 3 312.344 3.953 20 30 DHEDHM Cc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)c([O-])c1 ZINC000264827042 525033341 /nfs/dbraw/zinc/03/33/41/525033341.db2.gz IGUJBQIHAOWCOS-UHFFFAOYSA-N -1 3 324.380 3.760 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000108151168 526771006 /nfs/dbraw/zinc/77/10/06/526771006.db2.gz LDOMEBOKLCDOKB-UHFFFAOYSA-N -1 3 301.352 3.589 20 30 DHEDHM CC(C)C(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735684422 598900040 /nfs/dbraw/zinc/90/00/40/598900040.db2.gz MDHHGZTWDKCETF-UHFFFAOYSA-N -1 3 312.421 3.871 20 30 DHEDHM CC(C)C(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735684422 598900042 /nfs/dbraw/zinc/90/00/42/598900042.db2.gz MDHHGZTWDKCETF-UHFFFAOYSA-N -1 3 312.421 3.871 20 30 DHEDHM C=C(C)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735402015 598900910 /nfs/dbraw/zinc/90/09/10/598900910.db2.gz DQFUTCQJJNMPEE-UHFFFAOYSA-N -1 3 309.398 3.597 20 30 DHEDHM C=C(C)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735402015 598900911 /nfs/dbraw/zinc/90/09/11/598900911.db2.gz DQFUTCQJJNMPEE-UHFFFAOYSA-N -1 3 309.398 3.597 20 30 DHEDHM C=CCCNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735412632 598978639 /nfs/dbraw/zinc/97/86/39/598978639.db2.gz GEAMUJHEPPEPOH-UHFFFAOYSA-N -1 3 307.357 3.647 20 30 DHEDHM C=CCCNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735412632 598978641 /nfs/dbraw/zinc/97/86/41/598978641.db2.gz GEAMUJHEPPEPOH-UHFFFAOYSA-N -1 3 307.357 3.647 20 30 DHEDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736194322 599289504 /nfs/dbraw/zinc/28/95/04/599289504.db2.gz ZVWRROGPRWXMMV-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736194322 599289507 /nfs/dbraw/zinc/28/95/07/599289507.db2.gz ZVWRROGPRWXMMV-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM c1ccc([C@@H]2CCCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738429321 598741069 /nfs/dbraw/zinc/74/10/69/598741069.db2.gz XCRCBTONOAAEMP-INIZCTEOSA-N -1 3 318.384 3.602 20 30 DHEDHM c1ccc([C@@H]2CCCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738429321 598741070 /nfs/dbraw/zinc/74/10/70/598741070.db2.gz XCRCBTONOAAEMP-INIZCTEOSA-N -1 3 318.384 3.602 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000736661073 600562567 /nfs/dbraw/zinc/56/25/67/600562567.db2.gz DCKQYUILFMJPPL-ZBEGNZNMSA-N -1 3 314.772 3.688 20 30 DHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000827718468 601297599 /nfs/dbraw/zinc/29/75/99/601297599.db2.gz SVBFHPAWSVNERM-MEDUHNTESA-N -1 3 314.772 3.688 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1coc2ccccc12 ZINC000826399883 607646891 /nfs/dbraw/zinc/64/68/91/607646891.db2.gz JAIIGLLXLWWUOR-ALCCZGGFSA-N -1 3 322.349 3.571 20 30 DHEDHM C[C@@H](SCCCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820549513 606987206 /nfs/dbraw/zinc/98/72/06/606987206.db2.gz ODMZDTMXNPTNQH-GFCCVEGCSA-N -1 3 315.446 3.991 20 30 DHEDHM C[C@@H](SCCCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820549513 606987205 /nfs/dbraw/zinc/98/72/05/606987205.db2.gz ODMZDTMXNPTNQH-GFCCVEGCSA-N -1 3 315.446 3.991 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826264089 609134147 /nfs/dbraw/zinc/13/41/47/609134147.db2.gz BOXRLGRLMVEFCX-UTCJRWHESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826264089 609134149 /nfs/dbraw/zinc/13/41/49/609134149.db2.gz BOXRLGRLMVEFCX-UTCJRWHESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826296909 609270748 /nfs/dbraw/zinc/27/07/48/609270748.db2.gz OFSLWUOODYNPFD-HJWRWDBZSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826296909 609270749 /nfs/dbraw/zinc/27/07/49/609270749.db2.gz OFSLWUOODYNPFD-HJWRWDBZSA-N -1 3 322.343 3.519 20 30 DHEDHM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(C)c1)O[C@H](C)C2 ZINC000728230706 1013255398 /nfs/dbraw/zinc/25/53/98/1013255398.db2.gz FUVLKKCJQJVQHX-SCXUMTSISA-N -1 3 324.376 3.929 20 30 DHEDHM Cc1cn2c(/C=C\C(=O)c3ccc([O-])c(C)c3)c(C)nc2s1 ZINC000728232007 1013270973 /nfs/dbraw/zinc/27/09/73/1013270973.db2.gz QCWUQTRBAAZQRJ-ALCCZGGFSA-N -1 3 312.394 3.923 20 30 DHEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)ccc1OCC#N ZINC000728232970 1013294520 /nfs/dbraw/zinc/29/45/20/1013294520.db2.gz ZDLZOTLKOUHUJB-UTCJRWHESA-N -1 3 323.348 3.508 20 30 DHEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C ZINC000846794280 1032073579 /nfs/dbraw/zinc/07/35/79/1032073579.db2.gz XZONIFFTUKQEOD-MRXNPFEDSA-N -1 3 324.371 3.620 20 30 DHEDHM COc1cc(C(=O)/C=C\c2c(F)cccc2F)c(OC)cc1[O-] ZINC000255217393 1014239082 /nfs/dbraw/zinc/23/90/82/1014239082.db2.gz XLTQBVIICLHJAY-SREVYHEPSA-N -1 3 320.291 3.584 20 30 DHEDHM CC(C)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001591988102 976615665 /nfs/dbraw/zinc/61/56/65/976615665.db2.gz VSBSACYIMJRCPG-GOSISDBHSA-N -1 3 308.381 3.597 20 30 DHEDHM CC[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001595298764 980421209 /nfs/dbraw/zinc/42/12/09/980421209.db2.gz CDAZUBCSTAYZGT-KRWDZBQOSA-N -1 3 312.344 3.636 20 30 DHEDHM C#C[C@@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588376721 983353226 /nfs/dbraw/zinc/35/32/26/983353226.db2.gz GHAKUKJPQRYSKS-SWLSCSKDSA-N -1 3 307.821 3.883 20 30 DHEDHM C=CCOc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001588873560 984444649 /nfs/dbraw/zinc/44/46/49/984444649.db2.gz CQFNOOSRTUNPPT-LBPRGKRZSA-N -1 3 317.410 3.862 20 30 DHEDHM CC(C)[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001591087696 991610569 /nfs/dbraw/zinc/61/05/69/991610569.db2.gz QMIQWKMTEMUMIH-AWEZNQCLSA-N -1 3 300.402 3.515 20 30 DHEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000728429310 1016086578 /nfs/dbraw/zinc/08/65/78/1016086578.db2.gz CPNADYHHNFBBKR-UHFFFAOYSA-N -1 3 310.275 3.969 20 30 DHEDHM CSc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000255513846 1016938382 /nfs/dbraw/zinc/93/83/82/1016938382.db2.gz ZULAXWVKWDEHRF-UHFFFAOYSA-N -1 3 309.774 3.929 20 30 DHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001147172199 1032282604 /nfs/dbraw/zinc/28/26/04/1032282604.db2.gz LCDRWDFFXSFLOP-SWLSCSKDSA-N -1 3 305.443 3.979 20 30 DHEDHM N#C[C@H]1CC[C@@H](Sc2nnc([N-]c3ccccc3F)s2)C1 ZINC000450632254 1018943164 /nfs/dbraw/zinc/94/31/64/1018943164.db2.gz MSAHWJDCGXMHPX-VHSXEESVSA-N -1 3 320.418 4.205 20 30 DHEDHM O=C(c1cc2c(s1)CCCC2)N([O-])Cc1ccc(F)cc1 ZINC000900096167 1019120460 /nfs/dbraw/zinc/12/04/60/1019120460.db2.gz UFMUHNBSBYBDHQ-UHFFFAOYSA-N -1 3 305.374 3.798 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000081690316 1019217895 /nfs/dbraw/zinc/21/78/95/1019217895.db2.gz FHKYPNCAMYPGLI-JTQLQIEISA-N -1 3 301.371 3.630 20 30 DHEDHM COc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1O ZINC000730586260 1020006724 /nfs/dbraw/zinc/00/67/24/1020006724.db2.gz CPJMYCYJFVUOKR-FKVCUQLRSA-N -1 3 314.312 3.629 20 30 DHEDHM CC(C)n1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cn1 ZINC000732714138 1020270157 /nfs/dbraw/zinc/27/01/57/1020270157.db2.gz NBJOGLJMNJCYIM-OGGBREFQSA-N -1 3 300.333 3.692 20 30 DHEDHM Cc1ccc(Br)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255684897 1020294339 /nfs/dbraw/zinc/29/43/39/1020294339.db2.gz RVNBZVJAAWSOIA-UHFFFAOYSA-N -1 3 322.158 3.625 20 30 DHEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1S(C)(=O)=O ZINC000255736097 1020344407 /nfs/dbraw/zinc/34/44/07/1020344407.db2.gz MUAFVWLNVHEWKZ-UHFFFAOYSA-N -1 3 323.801 3.508 20 30 DHEDHM Cc1ncc2c(n1)CCC[C@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000734753331 1020653026 /nfs/dbraw/zinc/65/30/26/1020653026.db2.gz SJMYKSCCNMNRCM-HFTHVURISA-N -1 3 301.777 3.641 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(F)c(F)c2)c(OC)cc1[O-] ZINC000255884561 1020832795 /nfs/dbraw/zinc/83/27/95/1020832795.db2.gz VGVQMNVVODUEOZ-XQRVVYSFSA-N -1 3 320.291 3.584 20 30 DHEDHM N#Cc1cc2c(ccn2-c2ccc(C(F)(F)F)cc2[O-])c(N)c1 ZINC001212633562 1032954809 /nfs/dbraw/zinc/95/48/09/1032954809.db2.gz WUXFFFKKONVOBB-UHFFFAOYSA-N -1 3 317.270 3.809 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC(C)(C)c3ccccc32)c1[O-] ZINC000745626271 1021749500 /nfs/dbraw/zinc/74/95/00/1021749500.db2.gz LSCFDRSCNDBKCK-DSDJNCIMSA-N -1 3 324.424 3.820 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCC(C)(C)c3ccccc32)c1[O-] ZINC000745626275 1021749986 /nfs/dbraw/zinc/74/99/86/1021749986.db2.gz LSCFDRSCNDBKCK-QPHXDFOYSA-N -1 3 324.424 3.820 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ncccc1Cl ZINC000155039026 1021828194 /nfs/dbraw/zinc/82/81/94/1021828194.db2.gz LYXGUCKUVYESNS-RQZCQDPDSA-N -1 3 311.168 3.592 20 30 DHEDHM O=[N+]([O-])c1ccc(CC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000920172531 1022075574 /nfs/dbraw/zinc/07/55/74/1022075574.db2.gz GPPUYEQNMORGNI-LICLKQGHSA-N -1 3 304.733 3.615 20 30 DHEDHM CC[C@@H](C)Oc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000920177184 1022076409 /nfs/dbraw/zinc/07/64/09/1022076409.db2.gz DDDVLVMFKHMPPN-GFCCVEGCSA-N -1 3 314.385 3.516 20 30 DHEDHM COc1cc(C=NN[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000920386206 1022112484 /nfs/dbraw/zinc/11/24/84/1022112484.db2.gz UCCAMWHGYLXSDJ-NSHDSACASA-N -1 3 304.777 3.739 20 30 DHEDHM N#CC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCCCC1 ZINC000855957348 1022728968 /nfs/dbraw/zinc/72/89/68/1022728968.db2.gz CGTFFVKYTXJHAI-UHFFFAOYSA-N -1 3 308.381 3.749 20 30 DHEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000856032486 1022741587 /nfs/dbraw/zinc/74/15/87/1022741587.db2.gz OXQLICURUDFEAH-LLVKDONJSA-N -1 3 301.308 3.823 20 30 DHEDHM C=CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622144440 1023053136 /nfs/dbraw/zinc/05/31/36/1023053136.db2.gz HBTSODJOGLHJIN-NSHDSACASA-N -1 3 313.319 3.839 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc2nccn21 ZINC000769608265 1023187084 /nfs/dbraw/zinc/18/70/84/1023187084.db2.gz QYGIKCONNLGITP-WJEYQPDNSA-N -1 3 308.312 3.562 20 30 DHEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1sccc1[O-] ZINC000769792871 1023216182 /nfs/dbraw/zinc/21/61/82/1023216182.db2.gz LGZFVDQYJLEPTJ-UHFFFAOYSA-N -1 3 307.322 3.765 20 30 DHEDHM CCc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c([O-])c1 ZINC000190582237 1024113476 /nfs/dbraw/zinc/11/34/76/1024113476.db2.gz NMTNQXUYGXUQTQ-UHFFFAOYSA-N -1 3 322.408 3.877 20 30 DHEDHM O=C(CC/N=C/c1cc(Cl)ccc1[O-])OCc1ccccc1 ZINC000130100623 1024131096 /nfs/dbraw/zinc/13/10/96/1024131096.db2.gz WMOFORQPRVFOHO-YBFXNURJSA-N -1 3 317.772 3.598 20 30 DHEDHM CCOc1cc(/C=C/C(=O)c2cc(C)on2)cc(Cl)c1[O-] ZINC000791434645 1024495761 /nfs/dbraw/zinc/49/57/61/1024495761.db2.gz YPDJKEOUMNPANO-SNAWJCMRSA-N -1 3 307.733 3.637 20 30 DHEDHM C#CCOc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792147990 1024635121 /nfs/dbraw/zinc/63/51/21/1024635121.db2.gz GHUIQWGXNBQEGG-UHFFFAOYSA-N -1 3 317.344 3.810 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn2ccccc12 ZINC000729643904 1025670780 /nfs/dbraw/zinc/67/07/80/1025670780.db2.gz KNGWXEBMGKKJIU-UVIKPUKZSA-N -1 3 308.312 3.562 20 30 DHEDHM CC(C)(CCC#N)C/N=C/c1cc(Br)ccc1[O-] ZINC000806550608 1025916945 /nfs/dbraw/zinc/91/69/45/1025916945.db2.gz MNRLQNFMKOXZJB-RQZCQDPDSA-N -1 3 309.207 3.904 20 30 DHEDHM N#CC(=C([O-])c1cc2c(s1)CCC2)c1nc2ccccc2[nH]1 ZINC000060488167 1025928049 /nfs/dbraw/zinc/92/80/49/1025928049.db2.gz OZRJQXHHFACFSB-NSHDSACASA-N -1 3 307.378 3.603 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C1CCC2(COC2)CC1 ZINC000887270390 1026164625 /nfs/dbraw/zinc/16/46/25/1026164625.db2.gz MYYHTCAASGEGBT-CAOOACKPSA-N -1 3 324.218 3.533 20 30 DHEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc(C3CC3)n1)CCCC2 ZINC000614392691 1026286825 /nfs/dbraw/zinc/28/68/25/1026286825.db2.gz CIDLQLCTYMDZDF-UHFFFAOYSA-N -1 3 313.382 3.616 20 30 DHEDHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(C#N)cc1 ZINC000563572243 1028112660 /nfs/dbraw/zinc/11/26/60/1028112660.db2.gz JESHHVZTWVJPAK-ZDUSSCGKSA-N -1 3 316.360 3.908 20 30 DHEDHM O=c1[n-]c(N=NC2CC(c3ccccc3)C2)nc2ccccc21 ZINC000814869077 1028255398 /nfs/dbraw/zinc/25/53/98/1028255398.db2.gz RKAQURVPQNTFRQ-UHFFFAOYSA-N -1 3 304.353 3.681 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(C)C)cc2)n1 ZINC000041520618 1028742636 /nfs/dbraw/zinc/74/26/36/1028742636.db2.gz XBYODOOEUHUSMO-CQSZACIVSA-N -1 3 300.383 3.729 20 30 DHEDHM COc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc([O-])c1F)CC2 ZINC000794942030 1030425486 /nfs/dbraw/zinc/42/54/86/1030425486.db2.gz GDDKKMYXJRFBFB-FLIBITNWSA-N -1 3 316.303 3.892 20 30 DHEDHM CC[C@@H](C)[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000867837021 1030487362 /nfs/dbraw/zinc/48/73/62/1030487362.db2.gz OJCOKSXLHHYPNG-IYSWYEEDSA-N -1 3 315.204 3.667 20 30 DHEDHM COc1cc(C(=O)/C=C/c2c(F)cccc2F)c(OC)cc1[O-] ZINC000122492130 1030731658 /nfs/dbraw/zinc/73/16/58/1030731658.db2.gz XLTQBVIICLHJAY-VOTSOKGWSA-N -1 3 320.291 3.584 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)c(OC)cc1[O-] ZINC000122492395 1030731698 /nfs/dbraw/zinc/73/16/98/1030731698.db2.gz VGVQMNVVODUEOZ-GQCTYLIASA-N -1 3 320.291 3.584 20 30 DHEDHM COc1cc(C(=O)/C=C/C=C/c2ccccc2)c(OC)cc1[O-] ZINC000122529356 1030747696 /nfs/dbraw/zinc/74/76/96/1030747696.db2.gz ASBRZXSQOIDYSP-JMQWPVDRSA-N -1 3 310.349 3.862 20 30 DHEDHM COc1cc(C)cc(C([O-])=C(C#N)c2nc(C)cs2)c1C ZINC000870116389 1030927212 /nfs/dbraw/zinc/92/72/12/1030927212.db2.gz FFGYKFHHUNNALE-ZDUSSCGKSA-N -1 3 300.383 3.567 20 30 DHEDHM CC[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000870691388 1031065072 /nfs/dbraw/zinc/06/50/72/1031065072.db2.gz JRVKTRVNOVWXLO-HNNXBMFYSA-N -1 3 324.380 3.561 20 30 DHEDHM Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC001144394817 1031515828 /nfs/dbraw/zinc/51/58/28/1031515828.db2.gz WXFHVYKLQYMBMT-KRWDZBQOSA-N -1 3 322.408 3.993 20 30 DHEDHM CC(C)c1c(Cl)ncnc1N=NC(C)c1cccc([O-])c1F ZINC000872371427 1031593609 /nfs/dbraw/zinc/59/36/09/1031593609.db2.gz KDKTWRBCWMDNCP-UHFFFAOYSA-N -1 3 322.771 3.934 20 30 DHEDHM N#CCc1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361519427 1031967841 /nfs/dbraw/zinc/96/78/41/1031967841.db2.gz OAEPULCQSQZZMX-SFHVURJKSA-N -1 3 311.344 3.791 20 30 DHEDHM CCc1cccnc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361520423 1031971306 /nfs/dbraw/zinc/97/13/06/1031971306.db2.gz UEQIEKLCZXSPLH-INIZCTEOSA-N -1 3 301.349 3.682 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000846543887 1031995625 /nfs/dbraw/zinc/99/56/25/1031995625.db2.gz CWOMDMMSEPLTCB-QWRGUYRKSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000846551243 1031997892 /nfs/dbraw/zinc/99/78/92/1031997892.db2.gz YMXZHFHIYBCVLW-NSHDSACASA-N -1 3 301.308 3.650 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000846546537 1031998378 /nfs/dbraw/zinc/99/83/78/1031998378.db2.gz CRXGAJLBEWSEKU-MNOVXSKESA-N -1 3 312.207 3.565 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000846545845 1031998772 /nfs/dbraw/zinc/99/87/72/1031998772.db2.gz IZWZOZOVMIEISU-QMMMGPOBSA-N -1 3 308.230 4.000 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000846539856 1032003308 /nfs/dbraw/zinc/00/33/08/1032003308.db2.gz OXESEWKLHFRCJZ-NSHDSACASA-N -1 3 301.308 3.823 20 30 DHEDHM N#Cc1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000064732122 1033309016 /nfs/dbraw/zinc/30/90/16/1033309016.db2.gz ZNZZJRAEDVNPRQ-UHFFFAOYSA-N -1 3 309.350 3.837 20 30 DHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCCC(C)C ZINC000860894240 1033527443 /nfs/dbraw/zinc/52/74/43/1033527443.db2.gz MVCIIXWYMYKHIF-UHFFFAOYSA-N -1 3 318.417 3.578 20 30 DHEDHM S=c1[n-]c2ccccc2nc1N=NCCC[C@@H]1CCOC1 ZINC000863128397 1034002350 /nfs/dbraw/zinc/00/23/50/1034002350.db2.gz MTUNRSOAGCOTDX-LLVKDONJSA-N -1 3 302.403 3.507 20 30 DHEDHM CC(N=Nc1nc2ccccc2[n-]c1=S)[C@H]1CCCOC1 ZINC000863128313 1034003409 /nfs/dbraw/zinc/00/34/09/1034003409.db2.gz JPFDUWPXIJTLBG-NSHDSACASA-N -1 3 302.403 3.507 20 30 DHEDHM [O-]c1ccc(F)c(CN=Nc2nc(C(F)(F)F)cs2)c1F ZINC000794517701 1034092154 /nfs/dbraw/zinc/09/21/54/1034092154.db2.gz SZUMYLLIMIAAMQ-UHFFFAOYSA-N -1 3 323.246 3.592 20 30 DHEDHM O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000128418759 1034330419 /nfs/dbraw/zinc/33/04/19/1034330419.db2.gz OJWJYXRGWTZJNE-QPJJXVBHSA-N -1 3 303.701 3.850 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CC1(c2ccccn2)CCC1 ZINC000794675579 1034335150 /nfs/dbraw/zinc/33/51/50/1034335150.db2.gz DSFKHJWQMPZNOJ-YBFXNURJSA-N -1 3 300.789 3.981 20 30 DHEDHM CCc1ccc([C@@H](O)C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000794678496 1034338709 /nfs/dbraw/zinc/33/87/09/1034338709.db2.gz BWTWBVAYUJIDNS-KCBNLNMNSA-N -1 3 303.789 3.761 20 30 DHEDHM Cc1ncc(CO)c(C=Nc2cccc(OC(C)(C)C)c2)c1[O-] ZINC000899230122 1034522767 /nfs/dbraw/zinc/52/27/67/1034522767.db2.gz DGFMTMDWDMOQJG-UHFFFAOYSA-N -1 3 314.385 3.516 20 30 DHEDHM C[C@H]1CC2(CC(/N=C/c3cc(Br)ccc3[O-])C2)CO1 ZINC000899231481 1034523038 /nfs/dbraw/zinc/52/30/38/1034523038.db2.gz DZFWZGIXQURWQT-GYQPLRSISA-N -1 3 324.218 3.531 20 30 DHEDHM N#Cc1cccc2c(Nc3ccc(-c4nn[n-]n4)cc3)cccc12 ZINC001175430224 1034981179 /nfs/dbraw/zinc/98/11/79/1034981179.db2.gz LEWYEZFWRFMLOG-UHFFFAOYSA-N -1 3 312.336 3.635 20 30 DHEDHM N#Cc1cc(NC2=CCN(Cc3ccccc3)CC2)c([O-])cc1F ZINC001175506759 1035018430 /nfs/dbraw/zinc/01/84/30/1035018430.db2.gz LODYRGNAIZJFDK-UHFFFAOYSA-N -1 3 323.371 3.605 20 30 DHEDHM CC[C@@H](C)OCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378072 1035136951 /nfs/dbraw/zinc/13/69/51/1035136951.db2.gz BVQXVSLGVQOMMQ-SECBINFHSA-N -1 3 306.189 3.526 20 30 DHEDHM O=C(C[C@H]1CCCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181792 1035378749 /nfs/dbraw/zinc/37/87/49/1035378749.db2.gz YFEROJUADVLQER-SNVBAGLBSA-N -1 3 318.200 3.528 20 30 DHEDHM C[C@H](CC(=O)N([O-])Cc1ccccc1Cl)c1ccncc1 ZINC000904188781 1035382504 /nfs/dbraw/zinc/38/25/04/1035382504.db2.gz NSCSFDSMMGVMSJ-GFCCVEGCSA-N -1 3 304.777 3.647 20 30 DHEDHM Cc1noc(C)c1[C@@H](C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904189878 1035382771 /nfs/dbraw/zinc/38/27/71/1035382771.db2.gz CJPWKJKRBPVBRG-JTQLQIEISA-N -1 3 322.792 3.856 20 30 DHEDHM O=C(C1C[C@H]2CC[C@@H](C1)S2)N([O-])Cc1ccccc1Cl ZINC000904192887 1035383750 /nfs/dbraw/zinc/38/37/50/1035383750.db2.gz ZJJHUKRIZLBTRS-YHWZYXNKSA-N -1 3 311.834 3.732 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001181120292 1035842203 /nfs/dbraw/zinc/84/22/03/1035842203.db2.gz HHCXZIVLAUXXPB-ZDUSSCGKSA-N -1 3 315.421 3.802 20 30 DHEDHM CCCCCCC[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001181120292 1035842223 /nfs/dbraw/zinc/84/22/23/1035842223.db2.gz HHCXZIVLAUXXPB-ZDUSSCGKSA-N -1 3 315.421 3.802 20 30 DHEDHM C#CCN(Cc1ccc(F)cc1)Cc1cccc(Cl)c1[O-] ZINC000775663505 1036284727 /nfs/dbraw/zinc/28/47/27/1036284727.db2.gz CZLDDIMHOMOHMU-UHFFFAOYSA-N -1 3 303.764 3.820 20 30 DHEDHM CCc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001183510435 1036617421 /nfs/dbraw/zinc/61/74/21/1036617421.db2.gz IFYFUFYRIYVUOE-UHFFFAOYSA-N -1 3 308.381 3.743 20 30 DHEDHM CC(C)n1nccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184340932 1036817073 /nfs/dbraw/zinc/81/70/73/1036817073.db2.gz UFBJPDZYQIGABL-UHFFFAOYSA-N -1 3 309.369 3.649 20 30 DHEDHM COc1cc(C(=O)/C=C/c2ccc(C)cc2C)c(OC)cc1[O-] ZINC000763104189 1037256896 /nfs/dbraw/zinc/25/68/96/1037256896.db2.gz JBRLFPPEKSQQAU-BQYQJAHWSA-N -1 3 312.365 3.922 20 30 DHEDHM Cc1ccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1F ZINC001187957532 1037765367 /nfs/dbraw/zinc/76/53/67/1037765367.db2.gz WGDIARXPCHUFTE-UHFFFAOYSA-N -1 3 316.336 3.935 20 30 DHEDHM N#Cc1cc(Br)c(Cl)cc1Nc1cncc([O-])c1 ZINC001201646750 1037835036 /nfs/dbraw/zinc/83/50/36/1037835036.db2.gz NZEUSWBCGCOGBT-UHFFFAOYSA-N -1 3 324.565 3.818 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])C=CSc2ccccc2)nc(C)n1 ZINC000916880764 1038021156 /nfs/dbraw/zinc/02/11/56/1038021156.db2.gz XRUXQUULIMIWCL-CDNLZTBQSA-N -1 3 309.394 3.576 20 30 DHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)co1 ZINC000588886741 1038400037 /nfs/dbraw/zinc/40/00/37/1038400037.db2.gz SERNXDYLFFFBGM-UHFFFAOYSA-N -1 3 315.398 3.828 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(C3CCCC3)no2)c(F)c1 ZINC001191904950 1038565559 /nfs/dbraw/zinc/56/55/59/1038565559.db2.gz ZHZHSCSVAKWOSX-UHFFFAOYSA-N -1 3 317.295 3.734 20 30 DHEDHM Cc1nc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])ccc1C#N ZINC000078559535 1040085054 /nfs/dbraw/zinc/08/50/54/1040085054.db2.gz UFWCCKMVKAIOEL-UHFFFAOYSA-N -1 3 309.369 3.517 20 30 DHEDHM COc1ccc2oc(C([O-])=C(C#N)c3ccccn3)c(C)c2c1 ZINC000060477036 1040672841 /nfs/dbraw/zinc/67/28/41/1040672841.db2.gz GOLWBPZAPXFNFJ-AWEZNQCLSA-N -1 3 306.321 3.635 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000597179606 1040678237 /nfs/dbraw/zinc/67/82/37/1040678237.db2.gz JXEYUMCRVWBAMM-NSHDSACASA-N -1 3 315.398 3.741 20 30 DHEDHM CCc1nocc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000602350819 1040980942 /nfs/dbraw/zinc/98/09/42/1040980942.db2.gz UGLFPKYCJMKEGA-UHFFFAOYSA-N -1 3 303.387 3.720 20 30 DHEDHM C=CCOc1cccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618976 335013018 /nfs/dbraw/zinc/01/30/18/335013018.db2.gz KEBZPGRAYQVLQF-RBUKOAKNSA-N -1 3 323.392 3.654 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)c(OC)cc1Cl ZINC000417620071 335013987 /nfs/dbraw/zinc/01/39/87/335013987.db2.gz CKCGBLOOXMDCOB-SNVBAGLBSA-N -1 3 318.200 3.511 20 30 DHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccccc1OC1CCCC1 ZINC000417620607 335014139 /nfs/dbraw/zinc/01/41/39/335014139.db2.gz DGFLXVDPJJTNIM-HNNXBMFYSA-N -1 3 303.402 3.517 20 30 DHEDHM N#Cc1c([N-]C(=O)c2cocn2)sc2c1CCCCCC2 ZINC000105369798 194100759 /nfs/dbraw/zinc/10/07/59/194100759.db2.gz IFIDZOKNGIUYRR-UHFFFAOYSA-N -1 3 301.371 3.519 20 30 DHEDHM N#Cc1c([N-]C(=O)c2cncs2)sc2c1CCCCC2 ZINC000289503302 131391456 /nfs/dbraw/zinc/39/14/56/131391456.db2.gz TWBXVINMQXZCPK-UHFFFAOYSA-N -1 3 303.412 3.597 20 30 DHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000090537908 332005301 /nfs/dbraw/zinc/00/53/01/332005301.db2.gz RBQVCLMVVFKCIJ-UHFFFAOYSA-N -1 3 320.801 3.629 20 30 DHEDHM C=CCCc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000409854557 332061008 /nfs/dbraw/zinc/06/10/08/332061008.db2.gz SLDRDVDXCZSJNH-UHFFFAOYSA-N -1 3 323.318 3.932 20 30 DHEDHM Cc1ccc2c(CSc3cc(C#N)ccn3)ccc([O-])c2n1 ZINC000427250056 332187885 /nfs/dbraw/zinc/18/78/85/332187885.db2.gz PQQZRBOWYXKWOX-UHFFFAOYSA-N -1 3 307.378 3.808 20 30 DHEDHM CCCOc1ccc(/C=N/c2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000120533686 332387087 /nfs/dbraw/zinc/38/70/87/332387087.db2.gz CESFOLQCQHQWIX-UDWIEESQSA-N -1 3 324.380 3.816 20 30 DHEDHM CC(C)(C#N)CCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000135502320 332621419 /nfs/dbraw/zinc/62/14/19/332621419.db2.gz DHVUPPZKTYPAEL-UHFFFAOYSA-N -1 3 310.397 3.760 20 30 DHEDHM COc1cc(C)cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1[O-] ZINC000171608036 332647664 /nfs/dbraw/zinc/64/76/64/332647664.db2.gz PTHGBHFJINWXOG-UHFFFAOYSA-N -1 3 324.380 3.763 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCO[C@H](C2CC2)C1 ZINC000154223989 332738647 /nfs/dbraw/zinc/73/86/47/332738647.db2.gz RODGPDYWVJKZJJ-ZYGDNQFUSA-N -1 3 324.218 3.531 20 30 DHEDHM C=C(C)CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000183042953 333051677 /nfs/dbraw/zinc/05/16/77/333051677.db2.gz MOKCSXDMLCEFEE-UHFFFAOYSA-N -1 3 311.381 3.619 20 30 DHEDHM CCc1nnsc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000179546021 333152519 /nfs/dbraw/zinc/15/25/19/333152519.db2.gz MLMLKSFDSJKXIV-UHFFFAOYSA-N -1 3 320.443 3.583 20 30 DHEDHM C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)c2c([O-])cccc21 ZINC000186257170 333218047 /nfs/dbraw/zinc/21/80/47/333218047.db2.gz HCFQRYVFFXWMJZ-ZDUSSCGKSA-N -1 3 306.365 3.612 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 ZINC000411014034 333621280 /nfs/dbraw/zinc/62/12/80/333621280.db2.gz PBQKAOWRGYBXHE-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM N#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000340021033 333772123 /nfs/dbraw/zinc/77/21/23/333772123.db2.gz SBNYFSRFYIJGPO-CQSZACIVSA-N -1 3 321.163 3.694 20 30 DHEDHM Cc1c(C(=O)/C=C/c2c(F)ccc([O-])c2F)cnn1C(C)C ZINC000279964172 334113330 /nfs/dbraw/zinc/11/33/30/334113330.db2.gz COMZDYSALJHGPQ-GQCTYLIASA-N -1 3 306.312 3.652 20 30 DHEDHM CCc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345388426 335322477 /nfs/dbraw/zinc/32/24/77/335322477.db2.gz ZYWDPEZKQAIQIT-NSHDSACASA-N -1 3 324.409 3.689 20 30 DHEDHM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000346236085 335387084 /nfs/dbraw/zinc/38/70/84/335387084.db2.gz FYGNHOKGWWDKMD-CQSZACIVSA-N -1 3 318.380 3.745 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1C(C)C ZINC000346247470 335394431 /nfs/dbraw/zinc/39/44/31/335394431.db2.gz VBGIRSVAHBYSNO-HNNXBMFYSA-N -1 3 318.380 3.811 20 30 DHEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000332599170 336175634 /nfs/dbraw/zinc/17/56/34/336175634.db2.gz LWUZAJFVXXEODD-BFUOFWGJSA-N -1 3 308.381 3.748 20 30 DHEDHM N#Cc1ccc(C2=CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000352000872 336187489 /nfs/dbraw/zinc/18/74/89/336187489.db2.gz AYPSRACRHUUUHS-UHFFFAOYSA-N -1 3 308.356 3.692 20 30 DHEDHM COc1cc(C(=O)N[C@@H](CCCC#N)c2ccccc2)ccc1[O-] ZINC000352217959 336203725 /nfs/dbraw/zinc/20/37/25/336203725.db2.gz KSABKNWEWKQQHF-INIZCTEOSA-N -1 3 324.380 3.566 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2cccc(C(F)F)c2)nc(C)n1 ZINC000352697844 336231119 /nfs/dbraw/zinc/23/11/19/336231119.db2.gz JIBPVWMLDJYHGD-CYBMUJFWSA-N -1 3 301.296 3.521 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1C ZINC000420277874 337498282 /nfs/dbraw/zinc/49/82/82/337498282.db2.gz UVKDOIPIOKXOSW-LBPRGKRZSA-N -1 3 319.286 3.602 20 30 DHEDHM N#CCCC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000263382927 337627225 /nfs/dbraw/zinc/62/72/25/337627225.db2.gz CCVLXUDQWMMPPH-GOSISDBHSA-N -1 3 308.381 3.910 20 30 DHEDHM CC[C@](C)(C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000537637999 337952236 /nfs/dbraw/zinc/95/22/36/337952236.db2.gz CTTGDWRTYYXDKS-GOSISDBHSA-N -1 3 310.353 3.607 20 30 DHEDHM CCc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000425106548 338015502 /nfs/dbraw/zinc/01/55/02/338015502.db2.gz HJEVRKODDBGQRB-ZDUSSCGKSA-N -1 3 308.381 3.659 20 30 DHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(CC#N)c2)s1 ZINC000430620939 338110019 /nfs/dbraw/zinc/11/00/19/338110019.db2.gz CNZGQLLUSNCZLO-CQSZACIVSA-N -1 3 323.421 3.997 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc3ccccc3s2)c(F)c1 ZINC000151703505 338186764 /nfs/dbraw/zinc/18/67/64/338186764.db2.gz OZVOQXHRQAQUJP-UHFFFAOYSA-N -1 3 315.304 3.698 20 30 DHEDHM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1[O-] ZINC000436531259 338275477 /nfs/dbraw/zinc/27/54/77/338275477.db2.gz PBZLLLJCBUKZQF-UHFFFAOYSA-N -1 3 322.364 3.648 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436760179 338286244 /nfs/dbraw/zinc/28/62/44/338286244.db2.gz NCXALAXWRRQAFQ-UHFFFAOYSA-N -1 3 322.408 3.933 20 30 DHEDHM N#Cc1ccc(CSCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767773 338286658 /nfs/dbraw/zinc/28/66/58/338286658.db2.gz ICQYPOQTPXHOQU-UHFFFAOYSA-N -1 3 323.377 3.747 20 30 DHEDHM CCOc1cc(-c2noc(-c3cccc(C#N)c3C)n2)ccc1[O-] ZINC000436876746 338291353 /nfs/dbraw/zinc/29/13/53/338291353.db2.gz KDAVYNMEQDKTHC-UHFFFAOYSA-N -1 3 321.336 3.688 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([O-])c(C)c1 ZINC000436900357 338292781 /nfs/dbraw/zinc/29/27/81/338292781.db2.gz CNFIZFVOCAOTJJ-UHFFFAOYSA-N -1 3 311.381 3.538 20 30 DHEDHM Cc1nsc([N-]C(=O)c2ncoc2-c2ccc(C)cc2)c1C#N ZINC000439284926 338366155 /nfs/dbraw/zinc/36/61/55/338366155.db2.gz BFGYQYODJHCTCO-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM CCc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000453790263 338853072 /nfs/dbraw/zinc/85/30/72/338853072.db2.gz CATZSFJZISAXOS-LBPRGKRZSA-N -1 3 319.286 3.548 20 30 DHEDHM C=CCn1cccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000489053916 339800929 /nfs/dbraw/zinc/80/09/29/339800929.db2.gz XOOZLLWWIFSAKL-UHFFFAOYSA-N -1 3 310.275 3.651 20 30 DHEDHM Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1[O-] ZINC000500159417 340051611 /nfs/dbraw/zinc/05/16/11/340051611.db2.gz UOFOLXLSGIGAGA-ZWKOTPCHSA-N -1 3 320.392 3.613 20 30 DHEDHM Cc1cn2cc(C(=O)[N-]c3sc(C)c(C)c3C#N)sc2n1 ZINC000505368208 340167216 /nfs/dbraw/zinc/16/72/16/340167216.db2.gz IDIJRBYFQHYUFJ-UHFFFAOYSA-N -1 3 316.411 3.507 20 30 DHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1c(F)ccc([O-])c1F ZINC000507661869 340227441 /nfs/dbraw/zinc/22/74/41/340227441.db2.gz XIPAYAZQFZYCCR-UHFFFAOYSA-N -1 3 319.351 3.867 20 30 DHEDHM CCc1cnccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000543576902 341049344 /nfs/dbraw/zinc/04/93/44/341049344.db2.gz VXNLXDDSWDSJDC-ZDUSSCGKSA-N -1 3 319.286 3.548 20 30 DHEDHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1sccc1C#N ZINC000079383429 341257766 /nfs/dbraw/zinc/25/77/66/341257766.db2.gz HUJOQJYUWCNMOO-UHFFFAOYSA-N -1 3 309.350 3.836 20 30 DHEDHM CCc1ccc([O-])c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000552410727 341392092 /nfs/dbraw/zinc/39/20/92/341392092.db2.gz QXYSMUSIWZWRMY-UHFFFAOYSA-N -1 3 300.745 3.732 20 30 DHEDHM CC(C)=CCCC(C)C=CN=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820005148 607253756 /nfs/dbraw/zinc/25/37/56/607253756.db2.gz KNMXXMIGULFOLG-ZJYHORCRSA-N -1 3 324.432 3.635 20 30 DHEDHM CC(C)=CCCC(C)C=CN=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820005148 607253757 /nfs/dbraw/zinc/25/37/57/607253757.db2.gz KNMXXMIGULFOLG-ZJYHORCRSA-N -1 3 324.432 3.635 20 30 DHEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000736137615 598649746 /nfs/dbraw/zinc/64/97/46/598649746.db2.gz LKUBCGBBDVKOQK-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000736137615 598649748 /nfs/dbraw/zinc/64/97/48/598649748.db2.gz LKUBCGBBDVKOQK-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Sc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820556877 599344280 /nfs/dbraw/zinc/34/42/80/599344280.db2.gz VZZBFKHTLFTLEO-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Sc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820556877 599344283 /nfs/dbraw/zinc/34/42/83/599344283.db2.gz VZZBFKHTLFTLEO-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820455341 599353744 /nfs/dbraw/zinc/35/37/44/599353744.db2.gz HJLQHWBWXMIKMW-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820455341 599353745 /nfs/dbraw/zinc/35/37/45/599353745.db2.gz HJLQHWBWXMIKMW-JTQLQIEISA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000736660765 600422187 /nfs/dbraw/zinc/42/21/87/600422187.db2.gz BKFNWAHAYGTROI-BZNIZROVSA-N -1 3 314.772 3.688 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000822225055 607456748 /nfs/dbraw/zinc/45/67/48/607456748.db2.gz MEHOUNMNQGVORV-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000822225055 607456749 /nfs/dbraw/zinc/45/67/49/607456749.db2.gz MEHOUNMNQGVORV-VURMDHGXSA-N -1 3 322.343 3.519 20 30 DHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000826400538 607647300 /nfs/dbraw/zinc/64/73/00/607647300.db2.gz AYDONGZYQNOYEB-CMDGGOBGSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000826400538 607647301 /nfs/dbraw/zinc/64/73/01/607647301.db2.gz AYDONGZYQNOYEB-CMDGGOBGSA-N -1 3 316.320 3.509 20 30 DHEDHM C[C@@H]1CC(=Cc2ccc(-c3nnn[n-]3)s2)C(=O)c2ccccc21 ZINC000824858251 607680862 /nfs/dbraw/zinc/68/08/62/607680862.db2.gz IOUBBKLXFPOKBD-OYVNLZQHSA-N -1 3 322.393 3.702 20 30 DHEDHM CCCCCCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821050313 606268034 /nfs/dbraw/zinc/26/80/34/606268034.db2.gz QNEBXCMTJDHROV-UHFFFAOYSA-N -1 3 319.384 3.695 20 30 DHEDHM CCCCCCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821050313 606268036 /nfs/dbraw/zinc/26/80/36/606268036.db2.gz QNEBXCMTJDHROV-UHFFFAOYSA-N -1 3 319.384 3.695 20 30 DHEDHM C#CCN(Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001204155840 957250385 /nfs/dbraw/zinc/25/03/85/957250385.db2.gz VTKHXLNIBFBOBW-LJQANCHMSA-N -1 3 305.377 3.508 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2c(Cl)nc3ccccn32)ccc1[O-] ZINC000728232469 1013306153 /nfs/dbraw/zinc/30/61/53/1013306153.db2.gz UCKBUEJSVRBSFW-VURMDHGXSA-N -1 3 312.756 3.898 20 30 DHEDHM CC[C@H](C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255302333 1014832810 /nfs/dbraw/zinc/83/28/10/1014832810.db2.gz RVCAKQMDZLYSTE-NSHDSACASA-N -1 3 301.342 3.731 20 30 DHEDHM C#C[C@@H](N[C@H](C)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588376719 983353180 /nfs/dbraw/zinc/35/31/80/983353180.db2.gz GHAKUKJPQRYSKS-IUODEOHRSA-N -1 3 307.821 3.883 20 30 DHEDHM C#C[C@H](N[C@H](C)CC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001588376717 983353479 /nfs/dbraw/zinc/35/34/79/983353479.db2.gz GHAKUKJPQRYSKS-DOMZBBRYSA-N -1 3 307.821 3.883 20 30 DHEDHM C[C@@]1(C2CCCCC2)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001593992683 997275335 /nfs/dbraw/zinc/27/53/35/997275335.db2.gz NDPIPEFEAMVILA-IBGZPJMESA-N -1 3 312.413 3.801 20 30 DHEDHM N#CCCSc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255491558 1016425542 /nfs/dbraw/zinc/42/55/42/1016425542.db2.gz YAPZOQAVXNJWIS-UHFFFAOYSA-N -1 3 314.366 3.560 20 30 DHEDHM C[C@H](Oc1cc(C#N)ccc1[O-])c1ccc(Br)nc1 ZINC001227350559 1016588952 /nfs/dbraw/zinc/58/89/52/1016588952.db2.gz OEQBMFPTGGLDPQ-VIFPVBQESA-N -1 3 319.158 3.561 20 30 DHEDHM N#Cc1ccc(Nc2ccc([O-])c(Br)c2)cc1F ZINC001204062374 1032257268 /nfs/dbraw/zinc/25/72/68/1032257268.db2.gz PPHAFXHBURXBFD-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM COc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362175409 1032259334 /nfs/dbraw/zinc/25/93/34/1032259334.db2.gz AENPYRBMTNCNQV-GFCCVEGCSA-N -1 3 320.270 3.599 20 30 DHEDHM C=CC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccncc1 ZINC001147006893 1032268539 /nfs/dbraw/zinc/26/85/39/1032268539.db2.gz HPPUTUCRUREJKG-HNNXBMFYSA-N -1 3 314.410 3.556 20 30 DHEDHM C=CCn1c(SCc2csc(CCC(C)C)n2)n[n-]c1=O ZINC000348126218 1032469287 /nfs/dbraw/zinc/46/92/87/1032469287.db2.gz XPLFBMDNKJADRD-UHFFFAOYSA-N -1 3 324.475 3.507 20 30 DHEDHM CCn1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2ccccc21 ZINC000049405379 1011894885 /nfs/dbraw/zinc/89/48/85/1011894885.db2.gz QTFZMXJINCCJJU-HNNXBMFYSA-N -1 3 318.380 3.558 20 30 DHEDHM CCCc1nc(C)c(CN[C@H](CC)c2cccc(C#N)c2[O-])o1 ZINC000926476974 1018309770 /nfs/dbraw/zinc/30/97/70/1018309770.db2.gz RHMJJCHUSRDUMA-OAHLLOKOSA-N -1 3 313.401 3.754 20 30 DHEDHM CCC(N=Nc1cnc2ccccc2n1)c1ccc([O-])c(F)c1 ZINC000764690674 1018348361 /nfs/dbraw/zinc/34/83/61/1018348361.db2.gz QVEOETZGBAYZPO-UHFFFAOYSA-N -1 3 310.332 3.701 20 30 DHEDHM C[C@@H](C(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F ZINC000447707713 1018459764 /nfs/dbraw/zinc/45/97/64/1018459764.db2.gz PBDWEGDIWOPRPM-SSDLBLMSSA-N -1 3 317.204 3.586 20 30 DHEDHM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000676659536 1018797366 /nfs/dbraw/zinc/79/73/66/1018797366.db2.gz SWSBXAOYEVCYQB-KRWDZBQOSA-N -1 3 311.344 3.905 20 30 DHEDHM N#CC1(CSCc2cc(=O)[n-]c(-c3ccccc3)n2)CCC1 ZINC000566904931 1019018843 /nfs/dbraw/zinc/01/88/43/1019018843.db2.gz DJFUBHUXCQWQHY-UHFFFAOYSA-N -1 3 311.410 3.776 20 30 DHEDHM COc1ccc(Cl)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900096056 1019119872 /nfs/dbraw/zinc/11/98/72/1019119872.db2.gz PLVNIYWNWDHHRJ-UHFFFAOYSA-N -1 3 309.724 3.519 20 30 DHEDHM CO[C@@H]1CCCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000132357961 1019627360 /nfs/dbraw/zinc/62/73/60/1019627360.db2.gz ZHKIIUHHAGUREG-BGYOFBTKSA-N -1 3 312.207 3.531 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccc(F)cc1F ZINC000730147402 1019952889 /nfs/dbraw/zinc/95/28/89/1019952889.db2.gz NPXMMISSCPQJAF-DJKKODMXSA-N -1 3 311.715 3.822 20 30 DHEDHM Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c([O-])c1 ZINC000124458942 1020184099 /nfs/dbraw/zinc/18/40/99/1020184099.db2.gz NSNADPIOZRXEIY-UHFFFAOYSA-N -1 3 308.381 3.623 20 30 DHEDHM CC(C)n1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cn1 ZINC000732714136 1020269854 /nfs/dbraw/zinc/26/98/54/1020269854.db2.gz NBJOGLJMNJCYIM-HAAVITCDSA-N -1 3 300.333 3.692 20 30 DHEDHM C=CCN(CC1CCCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163729157 1020615365 /nfs/dbraw/zinc/61/53/65/1020615365.db2.gz CUTXWJKYSJYGNZ-UHFFFAOYSA-N -1 3 320.408 3.809 20 30 DHEDHM Cc1ncc2c(n1)CCC[C@@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000734753334 1020652830 /nfs/dbraw/zinc/65/28/30/1020652830.db2.gz SJMYKSCCNMNRCM-YUYIWDJPSA-N -1 3 301.777 3.641 20 30 DHEDHM N#CCCSc1ccccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000613072685 1020801447 /nfs/dbraw/zinc/80/14/47/1020801447.db2.gz OIKYIWBCOXPRAR-UHFFFAOYSA-N -1 3 313.382 3.810 20 30 DHEDHM CC(C)(C#N)CCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080442 1020861374 /nfs/dbraw/zinc/86/13/74/1020861374.db2.gz VEJPUBIFKZZIAM-UHFFFAOYSA-N -1 3 321.327 3.987 20 30 DHEDHM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000173951274 1020946801 /nfs/dbraw/zinc/94/68/01/1020946801.db2.gz QCSQTWLLZBAFDC-CYBMUJFWSA-N -1 3 311.410 3.994 20 30 DHEDHM COc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)ccc1[O-] ZINC000255889593 1020972454 /nfs/dbraw/zinc/97/24/54/1020972454.db2.gz BGAFLFPPFCRGNY-QGOGUYACSA-N -1 3 323.348 3.588 20 30 DHEDHM O=[N+]([O-])c1ccccc1CC/N=C\c1cc(Cl)ccc1[O-] ZINC000741845939 1021060220 /nfs/dbraw/zinc/06/02/20/1021060220.db2.gz ZOYLNEAQTBQFSZ-YVLHZVERSA-N -1 3 304.733 3.615 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(F)c(F)cc2F)ccc1[O-] ZINC000255898343 1021082719 /nfs/dbraw/zinc/08/27/19/1021082719.db2.gz ZUSGAOJBJUUCAJ-RQOWECAXSA-N -1 3 308.255 3.714 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)n1 ZINC000659010563 1021107783 /nfs/dbraw/zinc/10/77/83/1021107783.db2.gz PLQWBQUKHPQQHG-HNNXBMFYSA-N -1 3 311.410 3.542 20 30 DHEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1nccs1 ZINC000618390277 1021372034 /nfs/dbraw/zinc/37/20/34/1021372034.db2.gz QEGOPNJJJZDBHU-SNVBAGLBSA-N -1 3 303.412 3.647 20 30 DHEDHM N#Cc1c([N-]C(=O)c2nccs2)sc2c1CCCCC2 ZINC000618623690 1021446630 /nfs/dbraw/zinc/44/66/30/1021446630.db2.gz OSPQJTUTJDAFTO-UHFFFAOYSA-N -1 3 303.412 3.597 20 30 DHEDHM N#Cc1cccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211647370 1021499571 /nfs/dbraw/zinc/49/95/71/1021499571.db2.gz MDDWUPAZCPYKJJ-UHFFFAOYSA-N -1 3 323.739 3.687 20 30 DHEDHM C=CCN(Cc1cccs1)C(=O)c1cc(CC)ccc1[O-] ZINC000556932374 1021956445 /nfs/dbraw/zinc/95/64/45/1021956445.db2.gz YCJJRYSPAGHFRL-UHFFFAOYSA-N -1 3 301.411 3.845 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cc(C)c(OC)c(C)c2)ccc1[O-] ZINC000920065460 1022024049 /nfs/dbraw/zinc/02/40/49/1022024049.db2.gz XTIDXXYORIPCOK-ALCCZGGFSA-N -1 3 312.365 3.922 20 30 DHEDHM CCCn1nccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000853001914 1022192812 /nfs/dbraw/zinc/19/28/12/1022192812.db2.gz CMSASSOYOPYDDR-LZAIMSLLSA-N -1 3 300.333 3.521 20 30 DHEDHM N#CC1(c2ccc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2)CC1 ZINC001212262855 1022340537 /nfs/dbraw/zinc/34/05/37/1022340537.db2.gz JZQCYHPSYABYHC-UHFFFAOYSA-N -1 3 316.364 3.877 20 30 DHEDHM CC1CCC2(CC1)OC[C@@H](C/N=C/c1cc(Cl)ccc1[O-])O2 ZINC000776726183 1022449671 /nfs/dbraw/zinc/44/96/71/1022449671.db2.gz VRRNBDABYVXOCL-DWGDNKILSA-N -1 3 323.820 3.786 20 30 DHEDHM CCc1cnccc1C(=O)/C=C\c1cc(Cl)c([O-])c(OC)c1 ZINC000766771648 1022484133 /nfs/dbraw/zinc/48/41/33/1022484133.db2.gz HIHCFELXZKZIMD-PLNGDYQASA-N -1 3 317.772 3.908 20 30 DHEDHM C=CCCO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000856029508 1022739891 /nfs/dbraw/zinc/73/98/91/1022739891.db2.gz QRYPPXBBKAIUGD-UHFFFAOYSA-N -1 3 304.415 3.633 20 30 DHEDHM C=CCCO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000856032125 1022741694 /nfs/dbraw/zinc/74/16/94/1022741694.db2.gz HSLOEBDIVQNFBP-UHFFFAOYSA-N -1 3 322.213 3.642 20 30 DHEDHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)cc1C ZINC000162430326 1022762958 /nfs/dbraw/zinc/76/29/58/1022762958.db2.gz OCBPRKKKJDMTDV-HNNXBMFYSA-N -1 3 324.380 3.674 20 30 DHEDHM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)cc1C ZINC000162430463 1022764541 /nfs/dbraw/zinc/76/45/41/1022764541.db2.gz OCBPRKKKJDMTDV-OAHLLOKOSA-N -1 3 324.380 3.674 20 30 DHEDHM C[C@@H]1CCN(C(=O)/C=C/c2ccccc2C#N)c2c([O-])cccc21 ZINC000768663738 1023006767 /nfs/dbraw/zinc/00/67/67/1023006767.db2.gz PGHXJBRNCACQPW-ATWMFIQVSA-N -1 3 318.376 3.817 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000213219914 1024150868 /nfs/dbraw/zinc/15/08/68/1024150868.db2.gz DOYOGZJMWYNKIS-ZPBHHCQCSA-N -1 3 313.284 3.823 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCC#N)c2)CC)n1 ZINC000789828789 1024172821 /nfs/dbraw/zinc/17/28/21/1024172821.db2.gz CVYVLVOJQXJMHS-RVDMUPIBSA-N -1 3 323.396 3.575 20 30 DHEDHM C[C@H](N[C@@H]1c2ccccc2CC[C@H]1F)c1cccc(C#N)c1[O-] ZINC000883377580 1024411925 /nfs/dbraw/zinc/41/19/25/1024411925.db2.gz LHRMBBRTRKTUCS-JBBXEZCESA-N -1 3 310.372 3.940 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(C#N)cc1F ZINC000772797724 1024683564 /nfs/dbraw/zinc/68/35/64/1024683564.db2.gz PMHYBCRYGAVQJK-SZUMLMDFSA-N -1 3 311.287 3.925 20 30 DHEDHM N#CC(=C([O-])c1ccc2c(c1)oc1ccccc12)c1ccncn1 ZINC000354054152 1025338589 /nfs/dbraw/zinc/33/85/89/1025338589.db2.gz RJGPGIFWLQKLEM-HNNXBMFYSA-N -1 3 313.316 3.866 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2cccc(-n3cccc3)c2)n1 ZINC000041518771 1025409202 /nfs/dbraw/zinc/40/92/02/1025409202.db2.gz ZPZROKLARMBJIS-HNNXBMFYSA-N -1 3 307.378 3.732 20 30 DHEDHM C#C[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(Cl)cc1F ZINC000804808051 1025479949 /nfs/dbraw/zinc/47/99/49/1025479949.db2.gz MNZKEULTFLQOCN-SNVBAGLBSA-N -1 3 311.725 3.630 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCC2(CCC2)O1 ZINC000887269751 1026164780 /nfs/dbraw/zinc/16/47/80/1026164780.db2.gz AOWGWLJJWWHARM-LFMVTYOGSA-N -1 3 324.218 3.675 20 30 DHEDHM CCOCC(C)(C)C/N=C\c1cc(Br)ccc1[O-] ZINC000809144259 1026467780 /nfs/dbraw/zinc/46/77/80/1026467780.db2.gz ITNHQTDPQANKOC-PXNMLYILSA-N -1 3 314.223 3.636 20 30 DHEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(C(F)F)c2)c1 ZINC000811186829 1026950181 /nfs/dbraw/zinc/95/01/81/1026950181.db2.gz AAHRIXRUCXYERF-UHFFFAOYSA-N -1 3 303.264 3.558 20 30 DHEDHM CC(=NOC/C=C\Cl)c1cc(Br)ccc1[O-] ZINC000811671665 1027059343 /nfs/dbraw/zinc/05/93/43/1027059343.db2.gz JLEXGRPDNAZFBQ-WLWPVCBVSA-N -1 3 304.571 3.648 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCCC23CCCC3)c1[O-] ZINC000812444624 1027284459 /nfs/dbraw/zinc/28/44/59/1027284459.db2.gz KBVNCQOEQDINRU-YODDIOPGSA-N -1 3 302.418 3.510 20 30 DHEDHM Cc1ccc(N(CCC#N)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000814648584 1028149004 /nfs/dbraw/zinc/14/90/04/1028149004.db2.gz SYZRDVMJMIVZAT-UHFFFAOYSA-N -1 3 314.772 3.915 20 30 DHEDHM CC[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000817706638 1029231724 /nfs/dbraw/zinc/23/17/24/1029231724.db2.gz DLOGQIIBFBPQHE-SUNVMROUSA-N -1 3 312.207 3.531 20 30 DHEDHM CN(C)Cc1cccc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)c1 ZINC000821018106 1029798515 /nfs/dbraw/zinc/79/85/15/1029798515.db2.gz WHJIKDNWQVEDBG-VOTSOKGWSA-N -1 3 317.335 3.628 20 30 DHEDHM CN(C)Cc1cccc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)c1 ZINC000821018104 1029798872 /nfs/dbraw/zinc/79/88/72/1029798872.db2.gz WHJIKDNWQVEDBG-SREVYHEPSA-N -1 3 317.335 3.628 20 30 DHEDHM CC(C)(C)[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000866126241 1030134465 /nfs/dbraw/zinc/13/44/65/1030134465.db2.gz WHMKNVJBCGGPNH-ZCFIWIBFSA-N -1 3 315.204 3.667 20 30 DHEDHM COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866273059 1030195222 /nfs/dbraw/zinc/19/52/22/1030195222.db2.gz BZTJDMXZLBJVIX-NWDGAFQWSA-N -1 3 314.360 3.823 20 30 DHEDHM COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1OC ZINC000794931386 1030369391 /nfs/dbraw/zinc/36/93/91/1030369391.db2.gz MCWSPENVCZYCGD-XQRVVYSFSA-N -1 3 320.291 3.584 20 30 DHEDHM COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1F ZINC000794936659 1030411996 /nfs/dbraw/zinc/41/19/96/1030411996.db2.gz CVLUNXZEELSCHI-HYXAFXHYSA-N -1 3 308.255 3.714 20 30 DHEDHM CC[C@H](C)[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F ZINC000867837019 1030487294 /nfs/dbraw/zinc/48/72/94/1030487294.db2.gz OJCOKSXLHHYPNG-CAHLUQPWSA-N -1 3 315.204 3.667 20 30 DHEDHM N#Cc1cccc2c1CC[C@H]2Nc1ccc2c(c1)[N-]C(=S)C2 ZINC001171068722 1030644688 /nfs/dbraw/zinc/64/46/88/1030644688.db2.gz TYTZZZBPYIERGD-MRXNPFEDSA-N -1 3 305.406 3.953 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080449273 1031363818 /nfs/dbraw/zinc/36/38/18/1031363818.db2.gz GHGPNNLFYMGYSF-CYBMUJFWSA-N -1 3 300.383 3.765 20 30 DHEDHM Cc1cc(C(=O)/C=C/c2cccc(Br)n2)ccc1[O-] ZINC000777916832 1031856851 /nfs/dbraw/zinc/85/68/51/1031856851.db2.gz RCOKSRCXVCMHKM-SOFGYWHQSA-N -1 3 318.170 3.754 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000846543885 1031994536 /nfs/dbraw/zinc/99/45/36/1031994536.db2.gz CWOMDMMSEPLTCB-MNOVXSKESA-N -1 3 301.308 3.821 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000846545020 1031997125 /nfs/dbraw/zinc/99/71/25/1031997125.db2.gz DJTPIQQIJPZWOU-QWRGUYRKSA-N -1 3 301.308 3.821 20 30 DHEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000846536974 1032001587 /nfs/dbraw/zinc/00/15/87/1032001587.db2.gz DZABCHDVDUZJFJ-LLVKDONJSA-N -1 3 301.308 3.823 20 30 DHEDHM CO[C@](C)(CN=Nc1nc2ccccc2[n-]c1=S)C1CC1 ZINC000863125243 1034000844 /nfs/dbraw/zinc/00/08/44/1034000844.db2.gz QOYGYWFHQGDPJQ-OAHLLOKOSA-N -1 3 302.403 3.505 20 30 DHEDHM CO[C@@](C)(CN=Nc1nc2ccccc2[n-]c1=S)C1CC1 ZINC000863125242 1034001531 /nfs/dbraw/zinc/00/15/31/1034001531.db2.gz QOYGYWFHQGDPJQ-HNNXBMFYSA-N -1 3 302.403 3.505 20 30 DHEDHM CC[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)CCO1 ZINC000863128093 1034003031 /nfs/dbraw/zinc/00/30/31/1034003031.db2.gz FVXINLGERLPNJL-LLVKDONJSA-N -1 3 302.403 3.649 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2nccc3sccc32)c1F ZINC000794494461 1034017848 /nfs/dbraw/zinc/01/78/48/1034017848.db2.gz GMBWGBASCOTBIT-UHFFFAOYSA-N -1 3 305.309 3.726 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cccc(O[C@@H]3CCCCO3)c2)c1 ZINC001175188771 1034864661 /nfs/dbraw/zinc/86/46/61/1034864661.db2.gz ZYDYZXJZIFFEKQ-GOSISDBHSA-N -1 3 310.353 3.913 20 30 DHEDHM CC(C)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1 ZINC001175430744 1034980086 /nfs/dbraw/zinc/98/00/86/1034980086.db2.gz WGMSQVXVRIRUDQ-UHFFFAOYSA-N -1 3 304.357 3.605 20 30 DHEDHM CCOC1CC(CC(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904170701 1035381003 /nfs/dbraw/zinc/38/10/03/1035381003.db2.gz FQPXLRDJDNVSGQ-UHFFFAOYSA-N -1 3 313.397 3.763 20 30 DHEDHM O=C(c1ccn(C2CCCCC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000904174387 1035381689 /nfs/dbraw/zinc/38/16/89/1035381689.db2.gz ZYTDREFYVJLXEB-UHFFFAOYSA-N -1 3 317.364 3.559 20 30 DHEDHM Cc1ccc(C(=O)CCC(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000904172492 1035381758 /nfs/dbraw/zinc/38/17/58/1035381758.db2.gz CBVLQKVUPPPBSS-UHFFFAOYSA-N -1 3 321.373 3.577 20 30 DHEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)nn1C(C)C ZINC000904173154 1035382026 /nfs/dbraw/zinc/38/20/26/1035382026.db2.gz OJIPFJFJTZQZOE-UHFFFAOYSA-N -1 3 323.396 3.957 20 30 DHEDHM Cc1noc(C2CC2)c1C(=O)N([O-])Cc1ccccc1Cl ZINC000904190104 1035383023 /nfs/dbraw/zinc/38/30/23/1035383023.db2.gz GYBVATCGLFKSTK-UHFFFAOYSA-N -1 3 306.749 3.545 20 30 DHEDHM CCCCCCCC[C@H](CO)NC(=O)c1ccc(C)cc1[O-] ZINC001180481232 1035682252 /nfs/dbraw/zinc/68/22/52/1035682252.db2.gz VRBYBHAKMMJRFM-OAHLLOKOSA-N -1 3 307.434 3.542 20 30 DHEDHM N#CCc1cccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1 ZINC001193747615 1035728980 /nfs/dbraw/zinc/72/89/80/1035728980.db2.gz KTZNNXLUBFJLHA-UHFFFAOYSA-N -1 3 320.270 3.729 20 30 DHEDHM C=C1CC=C(F)C=C1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193758928 1035730369 /nfs/dbraw/zinc/73/03/69/1035730369.db2.gz FUEQHYCEOZMSHX-UHFFFAOYSA-N -1 3 313.250 3.838 20 30 DHEDHM CC1(C)CCc2sc([N-]C(=O)c3ccc(C#N)o3)c(C#N)c21 ZINC000906265286 1035892088 /nfs/dbraw/zinc/89/20/88/1035892088.db2.gz SFNSQEUOVFFYST-UHFFFAOYSA-N -1 3 311.366 3.561 20 30 DHEDHM CCC(CC)c1nnc([N-]C(=O)c2ccsc2C#N)s1 ZINC000906368290 1035940392 /nfs/dbraw/zinc/94/03/92/1035940392.db2.gz RODRNNKBGCHPKO-UHFFFAOYSA-N -1 3 306.416 3.627 20 30 DHEDHM CC(C)Cc1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001181820306 1036004457 /nfs/dbraw/zinc/00/44/57/1036004457.db2.gz IJQDGBKDFZVTBV-UHFFFAOYSA-N -1 3 308.381 3.644 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccc3c(c2)CCC(=O)N3C)ccc1[O-] ZINC000774136968 1036174971 /nfs/dbraw/zinc/17/49/71/1036174971.db2.gz DGWJMYGNSWPWLS-YWEYNIOJSA-N -1 3 321.376 3.506 20 30 DHEDHM CCCCCCN([O-])C(=O)CO[C@H]1CCCc2ccccc21 ZINC001184305406 1036792841 /nfs/dbraw/zinc/79/28/41/1036792841.db2.gz IKHYSXPRXJWHQG-KRWDZBQOSA-N -1 3 305.418 3.879 20 30 DHEDHM CCCCN([O-])C(=O)CCCc1ccccc1Br ZINC001184314756 1036797357 /nfs/dbraw/zinc/79/73/57/1036797357.db2.gz JDIRRWJICNSNMM-UHFFFAOYSA-N -1 3 314.223 3.790 20 30 DHEDHM N#Cc1cccc(COC(=O)c2cc(F)cc(Cl)c2[O-])c1F ZINC000774963580 1037277824 /nfs/dbraw/zinc/27/78/24/1037277824.db2.gz RCRKANGZUSPCAP-UHFFFAOYSA-N -1 3 323.682 3.552 20 30 DHEDHM Cc1cc(NC(=S)Nc2ccc([O-])c(C#N)c2)ccc1F ZINC001201038602 1037517040 /nfs/dbraw/zinc/51/70/40/1037517040.db2.gz WPUZNRDPKKJBPU-UHFFFAOYSA-N -1 3 301.346 3.520 20 30 DHEDHM [O-]c1ccc(Cl)cc1C=NNC(=S)Nc1ccccc1F ZINC000915920613 1037604720 /nfs/dbraw/zinc/60/47/20/1037604720.db2.gz HFXPSJCRIMLAKH-UHFFFAOYSA-N -1 3 323.780 3.505 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccoc1C ZINC000916904148 1038027668 /nfs/dbraw/zinc/02/76/68/1038027668.db2.gz XJFJOLPFDPKNIP-MRXNPFEDSA-N -1 3 324.380 3.674 20 30 DHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1occc1C ZINC000916909765 1038046888 /nfs/dbraw/zinc/04/68/88/1038046888.db2.gz UUBMSLQIGCYIFO-OAHLLOKOSA-N -1 3 324.380 3.674 20 30 DHEDHM Cc1cc(C#N)c([N-]C(=O)c2csc(C(F)(F)F)n2)s1 ZINC001191001983 1038415285 /nfs/dbraw/zinc/41/52/85/1038415285.db2.gz HSTGENHTVQCGMK-UHFFFAOYSA-N -1 3 317.317 3.656 20 30 DHEDHM Cc1cc(NC(=O)Nc2ccc([O-])cc2C#N)ccc1Cl ZINC001191773122 1038537963 /nfs/dbraw/zinc/53/79/63/1038537963.db2.gz ZADMBFIDITUADX-UHFFFAOYSA-N -1 3 301.733 3.870 20 30 DHEDHM N#Cc1ccc(C(=O)Nc2ccccc2[O-])c(C(F)(F)F)c1 ZINC001192098787 1038592602 /nfs/dbraw/zinc/59/26/02/1038592602.db2.gz JYSIQOPLYFUFQX-UHFFFAOYSA-N -1 3 306.243 3.535 20 30 DHEDHM Cc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)ccc1C#N ZINC000591405107 1038868647 /nfs/dbraw/zinc/86/86/47/1038868647.db2.gz LBDKHSXHZJSTJJ-UHFFFAOYSA-N -1 3 311.410 3.673 20 30 DHEDHM Cc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c([O-])c1 ZINC000059770027 1040230005 /nfs/dbraw/zinc/23/00/05/1040230005.db2.gz BLCVXQBMABMDLI-UHFFFAOYSA-N -1 3 310.353 3.636 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000602342430 1040988839 /nfs/dbraw/zinc/98/88/39/1040988839.db2.gz MJCVUUMJRWIPGU-RKDXNWHRSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCc1cccc(C(C)C)c1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000191498978 334998496 /nfs/dbraw/zinc/99/84/96/334998496.db2.gz JKNBQPHEORCDMQ-CQSZACIVSA-N -1 3 318.417 3.628 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCO[C@@H](C2CC2)C1 ZINC000154224210 332738622 /nfs/dbraw/zinc/73/86/22/332738622.db2.gz RODGPDYWVJKZJJ-YTTRNUGISA-N -1 3 324.218 3.531 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-]C1(c2nc(C)cs2)CCCC1 ZINC000294533978 335124275 /nfs/dbraw/zinc/12/42/75/335124275.db2.gz ACIRTMVWOJOFTE-UHFFFAOYSA-N -1 3 300.374 3.548 20 30 DHEDHM Cc1cc(Cl)cc(CN(CCC#N)Cc2ccccn2)c1[O-] ZINC000180059105 333157833 /nfs/dbraw/zinc/15/78/33/333157833.db2.gz HHIIFIFXKHBNOI-UHFFFAOYSA-N -1 3 315.804 3.665 20 30 DHEDHM C=CCSCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294590633 335126188 /nfs/dbraw/zinc/12/61/88/335126188.db2.gz CDXZFWDPKXONPD-UHFFFAOYSA-N -1 3 315.438 3.513 20 30 DHEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 ZINC000411014035 333621321 /nfs/dbraw/zinc/62/13/21/333621321.db2.gz PBQKAOWRGYBXHE-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ocnc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000264491873 333957121 /nfs/dbraw/zinc/95/71/21/333957121.db2.gz CJOVOOZJWNGKLR-JTQLQIEISA-N -1 3 301.371 3.630 20 30 DHEDHM CC(F)(F)CC(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000277481016 334088656 /nfs/dbraw/zinc/08/86/56/334088656.db2.gz NQVDONSNMRNJLT-JTQLQIEISA-N -1 3 317.204 3.730 20 30 DHEDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000292578967 334189607 /nfs/dbraw/zinc/18/96/07/334189607.db2.gz CGZZXEWXLCEGHW-SECBINFHSA-N -1 3 315.295 3.676 20 30 DHEDHM N#CC1(NC(=O)CCc2ccc3ccccc3c2[O-])CCCCC1 ZINC000294651090 334211700 /nfs/dbraw/zinc/21/17/00/334211700.db2.gz UPAPVAGJLJKJHR-UHFFFAOYSA-N -1 3 322.408 3.821 20 30 DHEDHM C[C@H](COCC(F)(F)F)/N=C/c1c([O-])ccc2ccccc21 ZINC000299297250 334254586 /nfs/dbraw/zinc/25/45/86/334254586.db2.gz NZDFPWKKXGKOJQ-VNQCRBAESA-N -1 3 311.303 3.932 20 30 DHEDHM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000340859499 334390606 /nfs/dbraw/zinc/39/06/06/334390606.db2.gz NFKVHOFGVXXFPE-GFCCVEGCSA-N -1 3 313.719 3.845 20 30 DHEDHM CCc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1[O-] ZINC000416341192 334664469 /nfs/dbraw/zinc/66/44/69/334664469.db2.gz WCIHRJXVBKEMOU-SFHVURJKSA-N -1 3 320.392 3.634 20 30 DHEDHM Cc1noc(C)c1[N-]C(=O)c1cnc2onc(C(C)C)c2c1 ZINC000328885849 334763585 /nfs/dbraw/zinc/76/35/85/334763585.db2.gz NPYFCCPCZBWLMP-UHFFFAOYSA-N -1 3 300.318 3.587 20 30 DHEDHM Cc1csc([N-]C(=O)c2oc(CC(C)C)nc2C)c1C#N ZINC000344885192 335282851 /nfs/dbraw/zinc/28/28/51/335282851.db2.gz BNMPBOHGRMWIFJ-UHFFFAOYSA-N -1 3 303.387 3.675 20 30 DHEDHM C=CC[C@H]1N(C(=O)c2ccc([O-])c(OC)c2)CCCC1(C)C ZINC000444627942 338477363 /nfs/dbraw/zinc/47/73/63/338477363.db2.gz BQLRDOZJCALSQJ-MRXNPFEDSA-N -1 3 303.402 3.608 20 30 DHEDHM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)ccn1C(C)C ZINC000346247471 335394280 /nfs/dbraw/zinc/39/42/80/335394280.db2.gz VBGIRSVAHBYSNO-OAHLLOKOSA-N -1 3 318.380 3.811 20 30 DHEDHM CC1(C)CC[C@H](NC(=O)c2csc(=O)[n-]2)c2ccccc21 ZINC000329972426 336101630 /nfs/dbraw/zinc/10/16/30/336101630.db2.gz ZAQZWBUIRQZAML-LBPRGKRZSA-N -1 3 302.399 3.966 20 30 DHEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000330233480 336127865 /nfs/dbraw/zinc/12/78/65/336127865.db2.gz SDNDTDYFNGMDGS-WCBMZHEXSA-N -1 3 320.805 3.788 20 30 DHEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000332692845 336179252 /nfs/dbraw/zinc/17/92/52/336179252.db2.gz HLEMBJDQWTVDBV-UHFFFAOYSA-N -1 3 314.429 3.673 20 30 DHEDHM C=CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000532836910 336272656 /nfs/dbraw/zinc/27/26/56/336272656.db2.gz HQEKHYQGCSPPBW-UHFFFAOYSA-N -1 3 303.745 3.863 20 30 DHEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000120224362 336904345 /nfs/dbraw/zinc/90/43/45/336904345.db2.gz IUWLBMDAFOMJMT-UHFFFAOYSA-N -1 3 320.414 3.783 20 30 DHEDHM N#CC(=C([O-])c1cccc2ncccc21)c1cnc2ccccc2n1 ZINC000190899551 337292229 /nfs/dbraw/zinc/29/22/29/337292229.db2.gz IAKMLFCBMIKISW-HNNXBMFYSA-N -1 3 324.343 3.668 20 30 DHEDHM CC(F)(F)CC(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000429080459 338070545 /nfs/dbraw/zinc/07/05/45/338070545.db2.gz QPAOFKAKYJPYSB-SNVBAGLBSA-N -1 3 317.204 3.730 20 30 DHEDHM N#Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000432705514 338163579 /nfs/dbraw/zinc/16/35/79/338163579.db2.gz ISSMVASSDGTYKD-KAMYIIQDSA-N -1 3 319.389 3.899 20 30 DHEDHM Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)c([O-])c1C ZINC000436607843 338279794 /nfs/dbraw/zinc/27/97/94/338279794.db2.gz UDEVBNGUENHDDD-KRWDZBQOSA-N -1 3 308.381 3.784 20 30 DHEDHM CCc1cc(C(=O)N(CCC#N)CC(CC)CC)ccc1[O-] ZINC000436685952 338282791 /nfs/dbraw/zinc/28/27/91/338282791.db2.gz CWOHPNPJTUAWNE-UHFFFAOYSA-N -1 3 302.418 3.747 20 30 DHEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436729526 338284448 /nfs/dbraw/zinc/28/44/48/338284448.db2.gz HAJGILIOCNKBGO-KRWDZBQOSA-N -1 3 308.381 3.512 20 30 DHEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436729530 338284544 /nfs/dbraw/zinc/28/45/44/338284544.db2.gz HAJGILIOCNKBGO-QGZVFWFLSA-N -1 3 308.381 3.512 20 30 DHEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c([O-])c1 ZINC000436820887 338288681 /nfs/dbraw/zinc/28/86/81/338288681.db2.gz IMNMVAIPTBPGSR-HNNXBMFYSA-N -1 3 314.772 3.603 20 30 DHEDHM CCCCn1c(SCc2ccc(C#N)cc2Cl)n[n-]c1=O ZINC000438896139 338355084 /nfs/dbraw/zinc/35/50/84/338355084.db2.gz QUXOEEOLOGWLIJ-UHFFFAOYSA-N -1 3 322.821 3.601 20 30 DHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440399375 338386831 /nfs/dbraw/zinc/38/68/31/338386831.db2.gz RARJHYWQONDCHL-LLVKDONJSA-N -1 3 309.818 3.736 20 30 DHEDHM CCc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1OC ZINC000459560042 339035652 /nfs/dbraw/zinc/03/56/52/339035652.db2.gz JHSCNRKMEFJOMZ-UHFFFAOYSA-N -1 3 316.386 3.538 20 30 DHEDHM CC(C)c1ncsc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000459851884 339050016 /nfs/dbraw/zinc/05/00/16/339050016.db2.gz MOSUQGTUEFLYCP-UHFFFAOYSA-N -1 3 317.439 3.941 20 30 DHEDHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1cccc(C#N)c1 ZINC000462245745 339074926 /nfs/dbraw/zinc/07/49/26/339074926.db2.gz KWQYATXPQXWYJU-SNVBAGLBSA-N -1 3 300.745 3.659 20 30 DHEDHM Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1[O-] ZINC000500159416 340051646 /nfs/dbraw/zinc/05/16/46/340051646.db2.gz UOFOLXLSGIGAGA-ROUUACIJSA-N -1 3 320.392 3.613 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)c2ccc(C#N)s2)c([O-])c1 ZINC000501943444 340091065 /nfs/dbraw/zinc/09/10/65/340091065.db2.gz CMIRJAOQAJQGTR-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM Cc1cc(Cl)cc(NC(=O)c2c(F)cc(C#N)cc2F)c1[O-] ZINC000133117832 341155449 /nfs/dbraw/zinc/15/54/49/341155449.db2.gz CJWHOBFYECQBJE-UHFFFAOYSA-N -1 3 322.698 3.756 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2nccc3sccc32)c(F)c1 ZINC000152822560 341507424 /nfs/dbraw/zinc/50/74/24/341507424.db2.gz AIPWYPVHZQKXPS-UHFFFAOYSA-N -1 3 315.304 3.698 20 30 DHEDHM C[C@@H](SCc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191497 599325867 /nfs/dbraw/zinc/32/58/67/599325867.db2.gz JKXQUDKMHQCURF-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191497 599325870 /nfs/dbraw/zinc/32/58/70/599325870.db2.gz JKXQUDKMHQCURF-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000822225141 607456700 /nfs/dbraw/zinc/45/67/00/607456700.db2.gz PYZMUPULCIRNHI-FPLPWBNLSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000822225141 607456701 /nfs/dbraw/zinc/45/67/01/607456701.db2.gz PYZMUPULCIRNHI-FPLPWBNLSA-N -1 3 322.343 3.519 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826403385 607528271 /nfs/dbraw/zinc/52/82/71/607528271.db2.gz QQPQMIFIVDVQNG-CMDGGOBGSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826403385 607528272 /nfs/dbraw/zinc/52/82/72/607528272.db2.gz QQPQMIFIVDVQNG-CMDGGOBGSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826403386 607528328 /nfs/dbraw/zinc/52/83/28/607528328.db2.gz QQPQMIFIVDVQNG-HJWRWDBZSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1coc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826403386 607528329 /nfs/dbraw/zinc/52/83/29/607528329.db2.gz QQPQMIFIVDVQNG-HJWRWDBZSA-N -1 3 316.320 3.509 20 30 DHEDHM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000825502804 604304566 /nfs/dbraw/zinc/30/45/66/604304566.db2.gz KWDCGWYXRSDWKA-ZIAGYGMSSA-N -1 3 323.396 3.738 20 30 DHEDHM C[C@H](CCc1ccccc1)CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820219918 606433594 /nfs/dbraw/zinc/43/35/94/606433594.db2.gz LIXXDWAANANMNB-CQSZACIVSA-N -1 3 320.400 3.533 20 30 DHEDHM C[C@H](CCc1ccccc1)CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820219918 606433596 /nfs/dbraw/zinc/43/35/96/606433596.db2.gz LIXXDWAANANMNB-CQSZACIVSA-N -1 3 320.400 3.533 20 30 DHEDHM CCC[C@@H](C)C(CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825234375 608535592 /nfs/dbraw/zinc/53/55/92/608535592.db2.gz ZGLIKQYMIKRZIG-SECBINFHSA-N -1 3 321.816 3.529 20 30 DHEDHM CCC[C@@H](C)C(CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825234375 608535593 /nfs/dbraw/zinc/53/55/93/608535593.db2.gz ZGLIKQYMIKRZIG-SECBINFHSA-N -1 3 321.816 3.529 20 30 DHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826266699 609504869 /nfs/dbraw/zinc/50/48/69/609504869.db2.gz YBBVIKCALOZIQA-YCRREMRBSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826266699 609504870 /nfs/dbraw/zinc/50/48/70/609504870.db2.gz YBBVIKCALOZIQA-YCRREMRBSA-N -1 3 324.771 3.725 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc(C)c1F ZINC000737232231 945014802 /nfs/dbraw/zinc/01/48/02/945014802.db2.gz ZTPZYYCIWZREEN-SREVYHEPSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc(C)c1F ZINC000737232231 945014808 /nfs/dbraw/zinc/01/48/08/945014808.db2.gz ZTPZYYCIWZREEN-SREVYHEPSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc(C)c1F ZINC000826257041 947741624 /nfs/dbraw/zinc/74/16/24/947741624.db2.gz LDSMMOMIXJZXBY-BQYQJAHWSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc(C)c1F ZINC000826257041 947741627 /nfs/dbraw/zinc/74/16/27/947741627.db2.gz LDSMMOMIXJZXBY-BQYQJAHWSA-N -1 3 322.343 3.519 20 30 DHEDHM N#Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1Cl ZINC000133798455 1013273305 /nfs/dbraw/zinc/27/33/05/1013273305.db2.gz OULMXTGVXQENEM-UHFFFAOYSA-N -1 3 312.756 3.510 20 30 DHEDHM CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C(=O)[O-])cc1 ZINC001595298942 980422597 /nfs/dbraw/zinc/42/25/97/980422597.db2.gz FCJXIJZJVDYHAZ-KRWDZBQOSA-N -1 3 324.380 3.506 20 30 DHEDHM C=C[C@@H](N[C@@H](C)c1ccccc1OCc1ccccc1)C(=O)[O-] ZINC001588702251 983919346 /nfs/dbraw/zinc/91/93/46/983919346.db2.gz OGZVNKCIPXBLAR-WMLDXEAASA-N -1 3 311.381 3.555 20 30 DHEDHM CSc1c(F)cc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000588425125 1015224412 /nfs/dbraw/zinc/22/44/12/1015224412.db2.gz QEACJGFQSLKHCD-UHFFFAOYSA-N -1 3 311.309 3.554 20 30 DHEDHM CC(C)(C)C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001589764603 988105193 /nfs/dbraw/zinc/10/51/93/988105193.db2.gz PLGHITDXERHCQJ-CYBMUJFWSA-N -1 3 300.402 3.515 20 30 DHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(C2CC2)c1 ZINC001593194570 994137938 /nfs/dbraw/zinc/13/79/38/994137938.db2.gz JLDRADRNALWYGA-DJJJIMSYSA-N -1 3 320.392 3.912 20 30 DHEDHM CC(N=Nc1nccc2sccc21)c1ccc([O-])c(F)c1 ZINC000728429688 1016095065 /nfs/dbraw/zinc/09/50/65/1016095065.db2.gz MLRJTZMSEXGHBF-UHFFFAOYSA-N -1 3 301.346 3.977 20 30 DHEDHM COc1cc2c(c(/C=C\C(=O)c3ccc([O-])c(C)c3)c1)O[C@H](C)C2 ZINC000728439913 1016162013 /nfs/dbraw/zinc/16/20/13/1016162013.db2.gz HEMGYTFCSOIFBB-SCXUMTSISA-N -1 3 324.376 3.929 20 30 DHEDHM CCCCCCCCN1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934274422 1016348945 /nfs/dbraw/zinc/34/89/45/1016348945.db2.gz TWUBXKIROFABFF-AWEZNQCLSA-N -1 3 307.438 3.688 20 30 DHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc([O-])c(F)c1 ZINC000892201310 1016420136 /nfs/dbraw/zinc/42/01/36/1016420136.db2.gz JVIDANYHWWKFDH-WMZOPIPTSA-N -1 3 310.372 3.803 20 30 DHEDHM CCCCOc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000254948963 1012555621 /nfs/dbraw/zinc/55/56/21/1012555621.db2.gz UEUWVNJIIGSDDC-UHFFFAOYSA-N -1 3 301.342 3.733 20 30 DHEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1C(F)(F)F ZINC000254965425 1012581544 /nfs/dbraw/zinc/58/15/44/1012581544.db2.gz OIQBWVCNWJQKNG-UHFFFAOYSA-N -1 3 311.259 3.881 20 30 DHEDHM CCc1cc(=O)[n-]c(-c2cccc(N=Cc3ccccc3O)c2)n1 ZINC000254974669 1012615405 /nfs/dbraw/zinc/61/54/05/1012615405.db2.gz NCVNXSLNEMVDPU-UHFFFAOYSA-N -1 3 319.364 3.868 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(CC(F)(F)F)cc2)c1O ZINC000255556275 1017696471 /nfs/dbraw/zinc/69/64/71/1017696471.db2.gz UNIZFAXWMDIXEV-UHFFFAOYSA-N -1 3 311.259 3.659 20 30 DHEDHM CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1 ZINC000764642028 1018337821 /nfs/dbraw/zinc/33/78/21/1018337821.db2.gz VYYNMKFYUQUQHB-UHFFFAOYSA-N -1 3 303.293 3.666 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)o1 ZINC000447184940 1018345611 /nfs/dbraw/zinc/34/56/11/1018345611.db2.gz XARKNDOJXUTOQI-UHFFFAOYSA-N -1 3 314.366 3.546 20 30 DHEDHM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000676659537 1018798708 /nfs/dbraw/zinc/79/87/08/1018798708.db2.gz SWSBXAOYEVCYQB-QGZVFWFLSA-N -1 3 311.344 3.905 20 30 DHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc(OCC#N)c1 ZINC000730151847 1019954386 /nfs/dbraw/zinc/95/43/86/1019954386.db2.gz RDLNWWROVZDKTF-UXEDPAHQSA-N -1 3 323.323 3.817 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@]1(O)CCCc2ccccc21 ZINC000731320205 1020091012 /nfs/dbraw/zinc/09/10/12/1020091012.db2.gz XBCKKGWSPRQBAQ-ISRVBRPNSA-N -1 3 315.800 3.689 20 30 DHEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2)cc1 ZINC000131525743 1020180943 /nfs/dbraw/zinc/18/09/43/1020180943.db2.gz JBXQMHILDJSGHF-MLGOLLRUSA-N -1 3 310.353 3.754 20 30 DHEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280814041 1020311830 /nfs/dbraw/zinc/31/18/30/1020311830.db2.gz HHLYRCCXPIFZQH-UHFFFAOYSA-N -1 3 310.397 3.947 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CCC2CCCCC2)c1[O-] ZINC000734303298 1020584394 /nfs/dbraw/zinc/58/43/94/1020584394.db2.gz KDDFKIJDFVNGKN-OTGIAGGSSA-N -1 3 304.434 3.756 20 30 DHEDHM COc1cc(C(=O)/C=C/c2nccc3ccccc23)ccc1[O-] ZINC000740764345 1020949208 /nfs/dbraw/zinc/94/92/08/1020949208.db2.gz RVPYRTUBIKQILJ-VQHVLOKHSA-N -1 3 305.333 3.845 20 30 DHEDHM C#CCOc1cc(F)ccc1N=Cc1cc(Cl)ccc1[O-] ZINC000741465760 1021009406 /nfs/dbraw/zinc/00/94/06/1021009406.db2.gz YBTMSCKQOJZHKZ-UHFFFAOYSA-N -1 3 303.720 3.947 20 30 DHEDHM COc1cccc(O[C@H](C)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000741844134 1021065411 /nfs/dbraw/zinc/06/54/11/1021065411.db2.gz NVUJOEYJBAAQQX-ZGXHQARYSA-N -1 3 319.788 3.941 20 30 DHEDHM CS[C@@H]1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000743042411 1021205702 /nfs/dbraw/zinc/20/57/02/1021205702.db2.gz KJXNYPVOVIQHCM-AQXMUXADSA-N -1 3 314.248 3.858 20 30 DHEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(C(F)(F)F)cc2)c1 ZINC000776274952 1021215884 /nfs/dbraw/zinc/21/58/84/1021215884.db2.gz QPYWQGWUTQTWQF-UHFFFAOYSA-N -1 3 321.254 3.640 20 30 DHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1ccccn1 ZINC000743537847 1021320747 /nfs/dbraw/zinc/32/07/47/1021320747.db2.gz AJCGTXRDMHZFGR-HLGUWXJESA-N -1 3 305.175 3.730 20 30 DHEDHM Cc1ncc(CO)c(C=Nc2ccc(CCC(C)C)cc2)c1[O-] ZINC000745020723 1021638920 /nfs/dbraw/zinc/63/89/20/1021638920.db2.gz HRXLXTKMJZWXMK-UHFFFAOYSA-N -1 3 312.413 3.927 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCC(C)(C)c3ccccc32)c1[O-] ZINC000745626272 1021749894 /nfs/dbraw/zinc/74/98/94/1021749894.db2.gz LSCFDRSCNDBKCK-JGVLGKFESA-N -1 3 324.424 3.820 20 30 DHEDHM N#CC1(CSc2nnc([N-]c3ccccc3F)s2)CCC1 ZINC000450632848 1021838143 /nfs/dbraw/zinc/83/81/43/1021838143.db2.gz TYIVUIPVAABGGJ-UHFFFAOYSA-N -1 3 320.418 4.207 20 30 DHEDHM COc1ccc(OC)c(CC/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000920175006 1022074802 /nfs/dbraw/zinc/07/48/02/1022074802.db2.gz SKIIDBOIVDQMBV-YBFXNURJSA-N -1 3 319.788 3.724 20 30 DHEDHM O=C(c1ccc(C(F)F)cc1F)N([O-])Cc1ccc(F)cc1 ZINC000901371581 1022087543 /nfs/dbraw/zinc/08/75/43/1022087543.db2.gz DZPYPUQUANSEKY-UHFFFAOYSA-N -1 3 313.250 3.934 20 30 DHEDHM CC(=O)N(C)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000920942455 1022191548 /nfs/dbraw/zinc/19/15/48/1022191548.db2.gz CPTMWOWDCHUDEU-UHFFFAOYSA-N -1 3 302.761 3.779 20 30 DHEDHM Cc1ncsc1C/N=C/c1cc(Br)ccc1[O-] ZINC000103716938 1022576725 /nfs/dbraw/zinc/57/67/25/1022576725.db2.gz IQOSZFXSUMNGHV-LHHJGKSTSA-N -1 3 311.204 3.539 20 30 DHEDHM C[C@H]1CCN(C(=S)Nc2ccccc2C#N)c2c([O-])cccc21 ZINC000767436525 1022718703 /nfs/dbraw/zinc/71/87/03/1022718703.db2.gz RYIIJZWIOOKWGG-LBPRGKRZSA-N -1 3 323.421 3.974 20 30 DHEDHM C=CCCO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000856029668 1022740531 /nfs/dbraw/zinc/74/05/31/1022740531.db2.gz YMPPHPMRUWUXHR-UHFFFAOYSA-N -1 3 320.776 3.552 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CC[C@@H]1CC1(F)F ZINC000856718795 1022844463 /nfs/dbraw/zinc/84/44/63/1022844463.db2.gz OLEXFODOOZNREP-UHDDOIDHSA-N -1 3 304.134 3.619 20 30 DHEDHM C[C@H]1CCN(C(=O)/C=C/c2ccccc2C#N)c2c([O-])cccc21 ZINC000768663745 1023006724 /nfs/dbraw/zinc/00/67/24/1023006724.db2.gz PGHXJBRNCACQPW-HBWSCVEGSA-N -1 3 318.376 3.817 20 30 DHEDHM N#Cc1ccc(CN(Cc2ccc(F)c(F)c2[O-])C2CC2)cc1 ZINC000876571478 1033094435 /nfs/dbraw/zinc/09/44/35/1033094435.db2.gz YXJJFSVVEQTVAS-UHFFFAOYSA-N -1 3 314.335 3.707 20 30 DHEDHM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3ccccn3)s2)o1 ZINC000049458649 1023854458 /nfs/dbraw/zinc/85/44/58/1023854458.db2.gz GEXGVYPZFLHBQM-LBPRGKRZSA-N -1 3 323.377 3.905 20 30 DHEDHM N#CCc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000788277233 1023869513 /nfs/dbraw/zinc/86/95/13/1023869513.db2.gz FTNGYUNMPAPMBE-UHFFFAOYSA-N -1 3 308.362 3.925 20 30 DHEDHM CCCc1nc(C(=O)[N-]c2sc(C)c(CC)c2C#N)co1 ZINC000337801677 1033181737 /nfs/dbraw/zinc/18/17/37/1033181737.db2.gz IPSUHJHNUVDTJG-UHFFFAOYSA-N -1 3 303.387 3.683 20 30 DHEDHM Cc1cc(C(=O)/C=C\c2ccnn2-c2ccccc2)ccc1[O-] ZINC000790600711 1024334975 /nfs/dbraw/zinc/33/49/75/1024334975.db2.gz LRRPSRMTBKNPQF-NTMALXAHSA-N -1 3 304.349 3.782 20 30 DHEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271326350 1024489284 /nfs/dbraw/zinc/48/92/84/1024489284.db2.gz VBTUWXPZAPKQGW-UHFFFAOYSA-N -1 3 301.308 3.706 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCN(c2ccccc2F)C1 ZINC000793668269 1025141590 /nfs/dbraw/zinc/14/15/90/1025141590.db2.gz MPACYSUZXITMND-DGURAOSJSA-N -1 3 318.779 3.883 20 30 DHEDHM C[C@@H](C#N)Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000806564972 1025925776 /nfs/dbraw/zinc/92/57/76/1025925776.db2.gz XJOAVSRKMWIOAM-PHATZWCLSA-N -1 3 307.353 3.521 20 30 DHEDHM COc1cc(C(=O)/C=C/c2c[nH]c(C(F)(F)F)c2)ccc1[O-] ZINC000806566732 1025925831 /nfs/dbraw/zinc/92/58/31/1025925831.db2.gz AKROJKCJIFYHJT-DUXPYHPUSA-N -1 3 311.259 3.644 20 30 DHEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1c([O-])cccc1Cl ZINC000809701844 1026598091 /nfs/dbraw/zinc/59/80/91/1026598091.db2.gz MPWDPIDQXJMRDP-UHFFFAOYSA-N -1 3 321.804 3.709 20 30 DHEDHM C=C(Br)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810704217 1026838101 /nfs/dbraw/zinc/83/81/01/1026838101.db2.gz MFEAPLWLLDWTGY-UHFFFAOYSA-N -1 3 320.595 3.948 20 30 DHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C#N)c(F)c2)CC)n1 ZINC000421127261 1026935907 /nfs/dbraw/zinc/93/59/07/1026935907.db2.gz KGEOQERHVANVHM-JYRVWZFOSA-N -1 3 311.360 3.684 20 30 DHEDHM COc1cc(C/N=C/c2cc(Cl)ccc2[O-])ccc1C#N ZINC000811625637 1027039686 /nfs/dbraw/zinc/03/96/86/1027039686.db2.gz ROQMJEZXSSODIJ-VXLYETTFSA-N -1 3 300.745 3.545 20 30 DHEDHM N#Cc1ccc(NN=Cc2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000811637622 1027045758 /nfs/dbraw/zinc/04/57/58/1027045758.db2.gz FIDWBZXJQSPLBL-UHFFFAOYSA-N -1 3 305.259 3.729 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1C1CC1 ZINC000562594583 1027517686 /nfs/dbraw/zinc/51/76/86/1027517686.db2.gz UGRCLCPAXZSTCM-AWEZNQCLSA-N -1 3 312.394 3.828 20 30 DHEDHM N#Cc1ccc(-c2ccc(OC[C@@H]3CCCCO3)cc2)c([O-])c1 ZINC000600775865 1027821315 /nfs/dbraw/zinc/82/13/15/1027821315.db2.gz APWIDXCCLNSVPW-KRWDZBQOSA-N -1 3 309.365 3.879 20 30 DHEDHM Cc1conc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000601134445 1027998769 /nfs/dbraw/zinc/99/87/69/1027998769.db2.gz GQZMXJPMAWQPSE-LLVKDONJSA-N -1 3 301.371 3.630 20 30 DHEDHM [O-]c1cccc(CN=Nc2ccc(C(F)(F)F)cn2)c1Cl ZINC000814711390 1028178556 /nfs/dbraw/zinc/17/85/56/1028178556.db2.gz HZXUEIAKTQXCHL-UHFFFAOYSA-N -1 3 315.682 3.905 20 30 DHEDHM CCOc1ccc(NN=C2CCc3c2ccc([O-])c3F)cc1 ZINC000814983532 1028317506 /nfs/dbraw/zinc/31/75/06/1028317506.db2.gz BJVWAOLZPSYSMU-UHFFFAOYSA-N -1 3 300.333 3.692 20 30 DHEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000190912443 1029208918 /nfs/dbraw/zinc/20/89/18/1029208918.db2.gz KXJBHOLBTLGGRG-ZDUSSCGKSA-N -1 3 307.740 3.773 20 30 DHEDHM C[C@H](NCc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1[O-] ZINC000866364768 1030256381 /nfs/dbraw/zinc/25/63/81/1030256381.db2.gz CPMGSQHNMOQHES-JTQLQIEISA-N -1 3 321.302 3.528 20 30 DHEDHM COc1ccccc1C1(N[C@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866382469 1030266397 /nfs/dbraw/zinc/26/63/97/1030266397.db2.gz PVJJOEBBBPIIQR-CYBMUJFWSA-N -1 3 308.381 3.612 20 30 DHEDHM COc1ccc(OC)c(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794932474 1030376874 /nfs/dbraw/zinc/37/68/74/1030376874.db2.gz WHQLBCLZLKSYMR-GQCTYLIASA-N -1 3 320.291 3.584 20 30 DHEDHM O=C1c2cc(O)ccc2CC/C1=C\c1c(F)ccc([O-])c1F ZINC000794960205 1030452717 /nfs/dbraw/zinc/45/27/17/1030452717.db2.gz OGRZEIYSQSVEHB-JXMROGBWSA-N -1 3 302.276 3.589 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(F)ccc2F)c(OC)cc1[O-] ZINC000122480508 1030721208 /nfs/dbraw/zinc/72/12/08/1030721208.db2.gz PYWXCXQAGOKSMQ-ZZXKWVIFSA-N -1 3 320.291 3.584 20 30 DHEDHM CC[C@@H](NCc1ncc(Cl)s1)c1cccc(C#N)c1[O-] ZINC000926828196 1030944301 /nfs/dbraw/zinc/94/43/01/1030944301.db2.gz CUEBVQZVFNTLJZ-LLVKDONJSA-N -1 3 307.806 3.615 20 30 DHEDHM C=C[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871214319 1031164819 /nfs/dbraw/zinc/16/48/19/1031164819.db2.gz MHDFIBDJQSTOLQ-LBPRGKRZSA-N -1 3 301.308 3.737 20 30 DHEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000537181906 1031524273 /nfs/dbraw/zinc/52/42/73/1031524273.db2.gz RHQCBEYMXFNIHA-JTQLQIEISA-N -1 3 305.802 3.502 20 30 DHEDHM C[C@H](CC(F)(F)F)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845797 1031726843 /nfs/dbraw/zinc/72/68/43/1031726843.db2.gz ZEVOGTJBXDPJNM-DGCLKSJQSA-N -1 3 323.314 3.585 20 30 DHEDHM C[C@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845797 1031726858 /nfs/dbraw/zinc/72/68/58/1031726858.db2.gz ZEVOGTJBXDPJNM-DGCLKSJQSA-N -1 3 323.314 3.585 20 30 DHEDHM Cc1ccc([C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)o1 ZINC000845840759 1031741089 /nfs/dbraw/zinc/74/10/89/1031741089.db2.gz FJLDKLQNUPUFPL-GOEBONIOSA-N -1 3 321.376 3.701 20 30 DHEDHM C=CCCCCCCCCC(=O)Nc1nc[n-]c1C(=O)OCC ZINC001144793892 1031970024 /nfs/dbraw/zinc/97/00/24/1031970024.db2.gz BOIOKGLCBHQDKS-UHFFFAOYSA-N -1 3 321.421 3.832 20 30 DHEDHM C=CCCCCCCCCC(=O)Nc1[n-]cnc1C(=O)OCC ZINC001144793892 1031970036 /nfs/dbraw/zinc/97/00/36/1031970036.db2.gz BOIOKGLCBHQDKS-UHFFFAOYSA-N -1 3 321.421 3.832 20 30 DHEDHM CCc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)c(C)n1 ZINC000361530693 1031972031 /nfs/dbraw/zinc/97/20/31/1031972031.db2.gz KOYBMIAIWPJHRN-SFHVURJKSA-N -1 3 315.376 3.991 20 30 DHEDHM N#CC(=C([O-])c1cccc2cnccc21)c1cnc2ccccc2n1 ZINC000361529642 1031973835 /nfs/dbraw/zinc/97/38/35/1031973835.db2.gz GCHHRNQTHJYDEL-INIZCTEOSA-N -1 3 324.343 3.668 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000846544065 1031995047 /nfs/dbraw/zinc/99/50/47/1031995047.db2.gz UKRKTKWNCMPIIF-GFCCVEGCSA-N -1 3 304.415 3.631 20 30 DHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCC(C)C)cc2)n1 ZINC000338189226 1033298531 /nfs/dbraw/zinc/29/85/31/1033298531.db2.gz IBIOAWWCSVQJMA-OAHLLOKOSA-N -1 3 314.410 3.976 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2ncccc2C(F)(F)F)c1F ZINC000794493563 1034014119 /nfs/dbraw/zinc/01/41/19/1034014119.db2.gz JSVRFTTVNSJIKE-UHFFFAOYSA-N -1 3 317.217 3.530 20 30 DHEDHM [O-]c1ccc(F)c(C=NNc2cccc(C(F)(F)F)n2)c1F ZINC000794516157 1034093159 /nfs/dbraw/zinc/09/31/59/1034093159.db2.gz ZLCQLQWLQDXRKF-UHFFFAOYSA-N -1 3 317.217 3.530 20 30 DHEDHM CCc1noc([C@@H]2CC[C@H](/N=C/c3cc(Cl)ccc3[O-])C2)n1 ZINC000899227228 1034517948 /nfs/dbraw/zinc/51/79/48/1034517948.db2.gz HPBSCIWPFFYGEK-UNCSFXSBSA-N -1 3 319.792 3.746 20 30 DHEDHM O=C(CC[C@H]1CCCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901370201 1035135419 /nfs/dbraw/zinc/13/54/19/1035135419.db2.gz UYXJMEDWTYQYFX-QGZVFWFLSA-N -1 3 313.397 3.907 20 30 DHEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128792534 1035231706 /nfs/dbraw/zinc/23/17/06/1035231706.db2.gz GAKYNRCQICSHOH-OAHLLOKOSA-N -1 3 318.332 3.702 20 30 DHEDHM CCCCN([O-])C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000904210500 1035382825 /nfs/dbraw/zinc/38/28/25/1035382825.db2.gz RZQBXMNPIKDCAZ-UHFFFAOYSA-N -1 3 302.374 3.601 20 30 DHEDHM O=C([C@H]1CC12CCSCC2)N([O-])Cc1ccccc1Cl ZINC000904193061 1035383322 /nfs/dbraw/zinc/38/33/22/1035383322.db2.gz KFLYQNHHMBSGEO-GFCCVEGCSA-N -1 3 311.834 3.591 20 30 DHEDHM CCCCCCN([O-])C(=O)Cc1csc(-c2cccnc2)n1 ZINC000904205316 1035385691 /nfs/dbraw/zinc/38/56/91/1035385691.db2.gz HOBGSSGRDLALIG-UHFFFAOYSA-N -1 3 319.430 3.546 20 30 DHEDHM C=CCSc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001178413720 1035428807 /nfs/dbraw/zinc/42/88/07/1035428807.db2.gz XTNACIUOXZJHEV-UHFFFAOYSA-N -1 3 317.385 3.739 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905003417 1035474271 /nfs/dbraw/zinc/47/42/71/1035474271.db2.gz WTZNKPLTVCSLEG-IAORWOKPSA-N -1 3 307.699 3.574 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1nc[n-]c1C(=O)OCC ZINC001181111598 1035835245 /nfs/dbraw/zinc/83/52/45/1035835245.db2.gz GEKAEWIHZBPLAY-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM CCCCCCC[C@@H](C)C(=O)Nc1[n-]cnc1C(=O)OCC ZINC001181111598 1035835263 /nfs/dbraw/zinc/83/52/63/1035835263.db2.gz GEKAEWIHZBPLAY-GFCCVEGCSA-N -1 3 309.410 3.522 20 30 DHEDHM C=C(C)COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OC ZINC000486123499 1036138210 /nfs/dbraw/zinc/13/82/10/1036138210.db2.gz GVAOZYSLHZUWSU-SOFGYWHQSA-N -1 3 312.369 3.625 20 30 DHEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775649377 1036213167 /nfs/dbraw/zinc/21/31/67/1036213167.db2.gz PQFOSVQFEROMST-UHFFFAOYSA-N -1 3 304.752 3.688 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/CCc1ccsc1 ZINC000914701753 1036253181 /nfs/dbraw/zinc/25/31/81/1036253181.db2.gz OKXFGOGPBFPDON-OVCLIPMQSA-N -1 3 310.216 3.878 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1cccc(Cl)c1 ZINC000915114684 1036649480 /nfs/dbraw/zinc/64/94/80/1036649480.db2.gz OWTYZMAXLMZUGQ-OADJVDCOSA-N -1 3 310.180 3.852 20 30 DHEDHM CCc1ccccc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001184283793 1036804102 /nfs/dbraw/zinc/80/41/02/1036804102.db2.gz QFVMSNAPOSSYAN-UHFFFAOYSA-N -1 3 303.789 3.863 20 30 DHEDHM O=C(C1Cc2ccccc2C1)N([O-])Cc1cccc2ccccc21 ZINC001184339502 1036819222 /nfs/dbraw/zinc/81/92/22/1036819222.db2.gz FXHQKCSRUUTUTO-UHFFFAOYSA-N -1 3 317.388 3.973 20 30 DHEDHM C=CCCS(=O)(=O)[N-]c1ccccc1-c1c(F)cccc1F ZINC000488385047 1036989750 /nfs/dbraw/zinc/98/97/50/1036989750.db2.gz IKXBPHXNQMTLCS-UHFFFAOYSA-N -1 3 323.364 3.950 20 30 DHEDHM COc1cc(C(=O)/C=C/C=C\c2ccccc2)c(OC)cc1[O-] ZINC000763104176 1037260092 /nfs/dbraw/zinc/26/00/92/1037260092.db2.gz ASBRZXSQOIDYSP-NAKBGQTNSA-N -1 3 310.349 3.862 20 30 DHEDHM COc1cc(C(=O)/C=C\c2cccc(C)c2C)c(OC)cc1[O-] ZINC000763107648 1037260295 /nfs/dbraw/zinc/26/02/95/1037260295.db2.gz VJJOSTIDCWMFLC-HJWRWDBZSA-N -1 3 312.365 3.922 20 30 DHEDHM CCc1cc(NC(=O)c2ccc([O-])cc2C)cc(CC)c1C#N ZINC001186192106 1037332920 /nfs/dbraw/zinc/33/29/20/1037332920.db2.gz PZFYFRRPOGPECQ-UHFFFAOYSA-N -1 3 308.381 3.949 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)c3ncccc23)c1O ZINC000912782453 1037578901 /nfs/dbraw/zinc/57/89/01/1037578901.db2.gz UECLHMBIWGBXMU-UHFFFAOYSA-N -1 3 314.728 3.756 20 30 DHEDHM C=CCOc1ccccc1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000916158099 1037694110 /nfs/dbraw/zinc/69/41/10/1037694110.db2.gz WBCYMXBTVNGGIG-NTMALXAHSA-N -1 3 310.349 3.862 20 30 DHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC001187994870 1037772831 /nfs/dbraw/zinc/77/28/31/1037772831.db2.gz SQBQSDLSOLXDNI-UHFFFAOYSA-N -1 3 301.456 3.566 20 30 DHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C)o1 ZINC000916906794 1038040841 /nfs/dbraw/zinc/04/08/41/1038040841.db2.gz UEEOTYIFRSVBGG-GFCCVEGCSA-N -1 3 316.744 3.511 20 30 DHEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cncc([O-])c2)c1 ZINC001189252591 1038102844 /nfs/dbraw/zinc/10/28/44/1038102844.db2.gz XYJUOLATEHWRKZ-UHFFFAOYSA-N -1 3 311.385 3.877 20 30 DHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC001202257747 1038120309 /nfs/dbraw/zinc/12/03/09/1038120309.db2.gz YVWCHUKBRFDRDJ-UHFFFAOYSA-N -1 3 311.128 3.806 20 30 DHEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(CCCC)cc2)cc1 ZINC001191252879 1038467675 /nfs/dbraw/zinc/46/76/75/1038467675.db2.gz IECXCWUWLBANET-UHFFFAOYSA-N -1 3 313.422 3.811 20 30 DHEDHM N#Cc1cc(NC(=O)c2c[nH]cc2-c2ccccc2)ccc1[O-] ZINC001191782630 1038546545 /nfs/dbraw/zinc/54/65/45/1038546545.db2.gz MUYLDISIGFLFIR-UHFFFAOYSA-N -1 3 303.321 3.511 20 30 DHEDHM CC(C)(C)Cc1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)on1 ZINC001191904852 1038566020 /nfs/dbraw/zinc/56/60/20/1038566020.db2.gz TXBOSKUULARENA-UHFFFAOYSA-N -1 3 319.311 3.665 20 30 DHEDHM Cc1c([O-])ccc2c(CSc3ccccc3C#N)cc(=O)oc12 ZINC000172680913 1039990737 /nfs/dbraw/zinc/99/07/37/1039990737.db2.gz MLLQVYWGZKPWRI-UHFFFAOYSA-N -1 3 323.373 3.971 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000602342427 1040990284 /nfs/dbraw/zinc/99/02/84/1040990284.db2.gz MJCVUUMJRWIPGU-BDAKNGLRSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CC)cc1[O-] ZINC000190570262 334950088 /nfs/dbraw/zinc/95/00/88/334950088.db2.gz VWENZTUEXBARAR-UHFFFAOYSA-N -1 3 320.392 3.655 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1 ZINC000091208615 193019175 /nfs/dbraw/zinc/01/91/75/193019175.db2.gz AJRZSHHMRVQOPS-UHFFFAOYSA-N -1 3 303.387 3.774 20 30 DHEDHM N#Cc1cccc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000340236162 131244162 /nfs/dbraw/zinc/24/41/62/131244162.db2.gz OALXYAUKJOYUOM-UHFFFAOYSA-N -1 3 312.756 3.588 20 30 DHEDHM Cc1csc([N-]C(=O)c2csc(CC(C)C)n2)c1C#N ZINC000288788943 131340092 /nfs/dbraw/zinc/34/00/92/131340092.db2.gz KUWVDHXVWFEFFS-UHFFFAOYSA-N -1 3 305.428 3.836 20 30 DHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ccc(C#N)s2)c1 ZINC000530680841 331618150 /nfs/dbraw/zinc/61/81/50/331618150.db2.gz GERZNQZGQYGQRU-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM CCCOc1ccc(/C=N/[C@H](C)Cc2c(C)noc2C)c([O-])c1 ZINC000150937350 332675644 /nfs/dbraw/zinc/67/56/44/332675644.db2.gz DUPXLWVCRZRODJ-ZGXHQARYSA-N -1 3 316.401 3.836 20 30 DHEDHM CSc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)o1 ZINC000171985220 333056970 /nfs/dbraw/zinc/05/69/70/333056970.db2.gz CFQJTSJPVSPMOI-UHFFFAOYSA-N -1 3 304.396 3.676 20 30 DHEDHM Cc1cc(Cl)cc(CN(CCC#N)Cc2cccnc2)c1[O-] ZINC000183476932 333185220 /nfs/dbraw/zinc/18/52/20/333185220.db2.gz NDCJRZGJIPJSCW-UHFFFAOYSA-N -1 3 315.804 3.665 20 30 DHEDHM CC[C@@H](CC#N)NCc1ccc(OCc2ccccc2)cc1[O-] ZINC000184094194 333191848 /nfs/dbraw/zinc/19/18/48/333191848.db2.gz HYNLFHKIRYXRMJ-KRWDZBQOSA-N -1 3 310.397 3.753 20 30 DHEDHM Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cc([O-])cc(F)c1 ZINC000184757679 333201336 /nfs/dbraw/zinc/20/13/36/333201336.db2.gz ASFSSJAVOCPLBZ-AATRIKPKSA-N -1 3 302.349 3.822 20 30 DHEDHM Cc1cc(C)c(N2CC[C@@H](/N=C/c3ccccc3[O-])C2=O)c(C)c1 ZINC000189649755 333260767 /nfs/dbraw/zinc/26/07/67/333260767.db2.gz WGSYUBPWNQGZCV-KKJJZKEWSA-N -1 3 322.408 3.542 20 30 DHEDHM N#Cc1c(F)cccc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000563627525 333640674 /nfs/dbraw/zinc/64/06/74/333640674.db2.gz ARMCXYSYAVDFGJ-UHFFFAOYSA-N -1 3 315.373 3.504 20 30 DHEDHM CCCOc1ccc(/C=N/C[C@](C)(O)c2cccs2)c([O-])c1 ZINC000265716040 333968030 /nfs/dbraw/zinc/96/80/30/333968030.db2.gz PTBQVIKHLZEYFH-SZLZGVTBSA-N -1 3 319.426 3.569 20 30 DHEDHM CCN(CCC#N)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273488578 334048162 /nfs/dbraw/zinc/04/81/62/334048162.db2.gz MGWQUPRWIIJICC-UHFFFAOYSA-N -1 3 310.397 3.707 20 30 DHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(C#N)o1 ZINC000340109343 334128287 /nfs/dbraw/zinc/12/82/87/334128287.db2.gz UUZQSHMZKZWXFN-LLVKDONJSA-N -1 3 311.366 3.798 20 30 DHEDHM C=CCOc1ccccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000340179174 334140724 /nfs/dbraw/zinc/14/07/24/334140724.db2.gz UALMHUKAHMQMOX-UHFFFAOYSA-N -1 3 317.772 3.540 20 30 DHEDHM Cc1nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(C)o1 ZINC000293475079 334198293 /nfs/dbraw/zinc/19/82/93/334198293.db2.gz RXFXFBZJEVCLCS-SNVBAGLBSA-N -1 3 315.398 3.796 20 30 DHEDHM Cc1nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c(C)o1 ZINC000293475076 334198301 /nfs/dbraw/zinc/19/83/01/334198301.db2.gz RXFXFBZJEVCLCS-JTQLQIEISA-N -1 3 315.398 3.796 20 30 DHEDHM C[C@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)[C@H]1CCCOC1 ZINC000330424754 334781153 /nfs/dbraw/zinc/78/11/53/334781153.db2.gz ISPRIPCEHRSJKD-UWVGGRQHSA-N -1 3 317.307 3.531 20 30 DHEDHM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000330428891 334781439 /nfs/dbraw/zinc/78/14/39/334781439.db2.gz LKHYNLNLIWZVGN-KOLCDFICSA-N -1 3 317.307 3.673 20 30 DHEDHM Cc1nc(CC(C)C)c(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000330803026 334812355 /nfs/dbraw/zinc/81/23/55/334812355.db2.gz HPMDUJSNYDIFIE-UHFFFAOYSA-N -1 3 305.403 3.695 20 30 DHEDHM CC(=O)c1ccc(C(=O)[N-]c2scc(C)c2C#N)c(F)c1 ZINC000344928372 335285901 /nfs/dbraw/zinc/28/59/01/335285901.db2.gz MQAINDRUJBFVOY-UHFFFAOYSA-N -1 3 302.330 3.522 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(C(C)C)n3)nc21 ZINC000345368614 335321080 /nfs/dbraw/zinc/32/10/80/335321080.db2.gz GJKLNRUUDHRXIJ-LLVKDONJSA-N -1 3 324.409 3.941 20 30 DHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3csc(C(C)C)n3)[nH]c21 ZINC000345368614 335321081 /nfs/dbraw/zinc/32/10/81/335321081.db2.gz GJKLNRUUDHRXIJ-LLVKDONJSA-N -1 3 324.409 3.941 20 30 DHEDHM CSc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1 ZINC000345390000 335322624 /nfs/dbraw/zinc/32/26/24/335322624.db2.gz CMERZYFUAHQITD-JTQLQIEISA-N -1 3 311.366 3.676 20 30 DHEDHM CSc1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000345390000 335322627 /nfs/dbraw/zinc/32/26/27/335322627.db2.gz CMERZYFUAHQITD-JTQLQIEISA-N -1 3 311.366 3.676 20 30 DHEDHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCCN1C1CCCC1 ZINC000330293587 336136375 /nfs/dbraw/zinc/13/63/75/336136375.db2.gz HXPJPHKRJTVWPX-OAHLLOKOSA-N -1 3 306.381 3.916 20 30 DHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccc1C ZINC000192769963 336261242 /nfs/dbraw/zinc/26/12/42/336261242.db2.gz BLMWOTVVEUWXLV-HNNXBMFYSA-N -1 3 317.348 3.564 20 30 DHEDHM Cc1nsc([N-]c2cnn(CC(C)C)c2C(F)F)c1C#N ZINC000361046016 336735036 /nfs/dbraw/zinc/73/50/36/336735036.db2.gz ZITFAMMMHZYRSF-UHFFFAOYSA-N -1 3 311.361 3.857 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc1C ZINC000420232904 337497088 /nfs/dbraw/zinc/49/70/88/337497088.db2.gz MGMRNNOEMBEIFO-LBPRGKRZSA-N -1 3 319.286 3.602 20 30 DHEDHM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430631560 338110196 /nfs/dbraw/zinc/11/01/96/338110196.db2.gz UVLADANMMMSUFW-CYBMUJFWSA-N -1 3 314.410 3.939 20 30 DHEDHM C=CCn1c(S[C@H](C)CCSc2ccccc2)n[n-]c1=O ZINC000431240822 338126407 /nfs/dbraw/zinc/12/64/07/338126407.db2.gz ZKWYTEZLYZRNJC-GFCCVEGCSA-N -1 3 321.471 3.833 20 30 DHEDHM CSc1ccccc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000431588660 338134140 /nfs/dbraw/zinc/13/41/40/338134140.db2.gz SXLUQWWMGLCEHS-UHFFFAOYSA-N -1 3 303.774 3.581 20 30 DHEDHM CCc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000434645311 338222367 /nfs/dbraw/zinc/22/23/67/338222367.db2.gz KLSRBKGAUPPDLJ-KRWDZBQOSA-N -1 3 301.349 3.682 20 30 DHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(Cl)ccc2F)c(F)c1 ZINC000153641031 338228104 /nfs/dbraw/zinc/22/81/04/338228104.db2.gz SJQSCPDISBZIPF-UHFFFAOYSA-N -1 3 310.662 3.881 20 30 DHEDHM CC(C)c1ccc(C(=O)N[C@H](C#N)c2ccccc2F)c([O-])c1 ZINC000436563875 338277198 /nfs/dbraw/zinc/27/71/98/338277198.db2.gz FOZKPILTMAEHMS-MRXNPFEDSA-N -1 3 312.344 3.649 20 30 DHEDHM CC(C)c1ccc(C(=O)N(CCC#N)CC(C)(C)C)c([O-])c1 ZINC000436565392 338277302 /nfs/dbraw/zinc/27/73/02/338277302.db2.gz JIQNWYGNPVEGDB-UHFFFAOYSA-N -1 3 302.418 3.918 20 30 DHEDHM C=CCOCCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613836 338279893 /nfs/dbraw/zinc/27/98/93/338279893.db2.gz XWCHHESHASMQBU-UHFFFAOYSA-N -1 3 310.353 3.731 20 30 DHEDHM C=CCN(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436841602 338289474 /nfs/dbraw/zinc/28/94/74/338289474.db2.gz VRGXXXFRPPLOOK-UHFFFAOYSA-N -1 3 322.364 3.726 20 30 DHEDHM Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1[O-] ZINC000436926680 338293813 /nfs/dbraw/zinc/29/38/13/338293813.db2.gz OISDXKOVWXICGC-UHFFFAOYSA-N -1 3 322.408 3.871 20 30 DHEDHM C=CCc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc(OC)c1O ZINC000436933620 338294313 /nfs/dbraw/zinc/29/43/13/338294313.db2.gz QPUAHBYQNALTOE-VMPITWQZSA-N -1 3 324.380 3.673 20 30 DHEDHM CCCc1nc(C)c(C(=O)[N-]c2sc(C)c(C)c2C#N)o1 ZINC000459844078 339049912 /nfs/dbraw/zinc/04/99/12/339049912.db2.gz ISKDKLWFPHDILX-UHFFFAOYSA-N -1 3 303.387 3.738 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SC/C=C/c1ccc(Cl)cc1 ZINC000468471096 339263474 /nfs/dbraw/zinc/26/34/74/339263474.db2.gz TXRJOTMURFZORJ-ONEGZZNKSA-N -1 3 307.806 3.629 20 30 DHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc([O-])cc(F)c1 ZINC000473143347 339382569 /nfs/dbraw/zinc/38/25/69/339382569.db2.gz XIENJQPCOOWEBA-RTBURBONSA-N -1 3 310.372 3.803 20 30 DHEDHM CC(C)(C)c1ccc(NC(=O)c2cc(C#N)cs2)c([O-])c1 ZINC000506251282 340190105 /nfs/dbraw/zinc/19/01/05/340190105.db2.gz WXMGUQKEBQRCBP-UHFFFAOYSA-N -1 3 300.383 3.875 20 30 DHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc([O-])c2)cc1 ZINC000509142877 340262235 /nfs/dbraw/zinc/26/22/35/340262235.db2.gz WSHGCUWZZXYIBU-QGZVFWFLSA-N -1 3 308.381 3.684 20 30 DHEDHM Cc1c(C#N)cccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000513823409 340426807 /nfs/dbraw/zinc/42/68/07/340426807.db2.gz ULXGIZBFCNLWQG-LBPRGKRZSA-N -1 3 306.365 3.726 20 30 DHEDHM CCC(C#N)(CC)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000529129630 340745508 /nfs/dbraw/zinc/74/55/08/340745508.db2.gz NLIDNBPYFWYGQL-UHFFFAOYSA-N -1 3 316.279 3.559 20 30 DHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146229 340780664 /nfs/dbraw/zinc/78/06/64/340780664.db2.gz BGRBXFVBMOCZIG-NSHDSACASA-N -1 3 300.811 3.507 20 30 DHEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000546056679 341152965 /nfs/dbraw/zinc/15/29/65/341152965.db2.gz CRVIUOBAIJCLEV-JTQLQIEISA-N -1 3 308.230 3.626 20 30 DHEDHM Cc1ccccc1C(C)(C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000076947086 341216105 /nfs/dbraw/zinc/21/61/05/341216105.db2.gz KISUVKHUMVWJPK-UHFFFAOYSA-N -1 3 312.295 3.698 20 30 DHEDHM Cc1ccccc1C(C)(C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000076947086 341216106 /nfs/dbraw/zinc/21/61/06/341216106.db2.gz KISUVKHUMVWJPK-UHFFFAOYSA-N -1 3 312.295 3.698 20 30 DHEDHM Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)c([O-])c1C ZINC000576010911 341820094 /nfs/dbraw/zinc/82/00/94/341820094.db2.gz UUEJKDMPRYBKRX-GOSISDBHSA-N -1 3 300.402 3.601 20 30 DHEDHM C[C@@H](Sc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190566 599289664 /nfs/dbraw/zinc/28/96/64/599289664.db2.gz FQNJAFIZZUQBBN-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@@H](Sc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190566 599289665 /nfs/dbraw/zinc/28/96/65/599289665.db2.gz FQNJAFIZZUQBBN-LLVKDONJSA-N -1 3 307.382 3.592 20 30 DHEDHM CCCC(Cc1ccccc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736425472 598437405 /nfs/dbraw/zinc/43/74/05/598437405.db2.gz GQJCOVXKLCJGJV-UHFFFAOYSA-N -1 3 320.400 3.677 20 30 DHEDHM CCCC(Cc1ccccc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736425472 598437406 /nfs/dbraw/zinc/43/74/06/598437406.db2.gz GQJCOVXKLCJGJV-UHFFFAOYSA-N -1 3 320.400 3.677 20 30 DHEDHM C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137400 598649579 /nfs/dbraw/zinc/64/95/79/598649579.db2.gz KCRHUVFPUGMLRA-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137400 598649581 /nfs/dbraw/zinc/64/95/81/598649581.db2.gz KCRHUVFPUGMLRA-SNVBAGLBSA-N -1 3 324.775 3.565 20 30 DHEDHM C[C@@H](SCc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190578 599328918 /nfs/dbraw/zinc/32/89/18/599328918.db2.gz FSRCHUVDVBUVRX-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM C[C@@H](SCc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190578 599328921 /nfs/dbraw/zinc/32/89/21/599328921.db2.gz FSRCHUVDVBUVRX-GFCCVEGCSA-N -1 3 321.409 3.733 20 30 DHEDHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736514745 600595706 /nfs/dbraw/zinc/59/57/06/600595706.db2.gz YLOWZBWYMVWVLJ-SFHVURJKSA-N -1 3 308.381 3.597 20 30 DHEDHM CCN(Cc1ccc(C(=O)[O-])s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000829719173 601942775 /nfs/dbraw/zinc/94/27/75/601942775.db2.gz ZYORJEZQCUNXPU-LBPRGKRZSA-N -1 3 314.410 3.901 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1coc2ccccc12 ZINC000826399884 607646742 /nfs/dbraw/zinc/64/67/42/607646742.db2.gz JAIIGLLXLWWUOR-FNORWQNLSA-N -1 3 322.349 3.571 20 30 DHEDHM C=CCSCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833378965 605780928 /nfs/dbraw/zinc/78/09/28/605780928.db2.gz ZINJEPVZFRQZSV-LBPRGKRZSA-N -1 3 320.241 3.628 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822934661 606196334 /nfs/dbraw/zinc/19/63/34/606196334.db2.gz AYTDGLUXICMIHJ-VAWYXSNFSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822934661 606196335 /nfs/dbraw/zinc/19/63/35/606196335.db2.gz AYTDGLUXICMIHJ-VAWYXSNFSA-N -1 3 316.364 3.640 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)s1 ZINC000822922244 606387932 /nfs/dbraw/zinc/38/79/32/606387932.db2.gz DTNDRFFZWGBKFA-IWQZZHSRSA-N -1 3 322.802 3.539 20 30 DHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc2ccccc2o1 ZINC000822922548 606387962 /nfs/dbraw/zinc/38/79/62/606387962.db2.gz HIMSQWXCGMXRGM-ALCCZGGFSA-N -1 3 322.349 3.571 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1coc2ccccc12 ZINC000826402515 607885612 /nfs/dbraw/zinc/88/56/12/607885612.db2.gz WCFZUABVPZZQBW-MDZDMXLPSA-N -1 3 316.320 3.509 20 30 DHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000826402515 607885613 /nfs/dbraw/zinc/88/56/13/607885613.db2.gz WCFZUABVPZZQBW-MDZDMXLPSA-N -1 3 316.320 3.509 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1C ZINC000826281225 607915792 /nfs/dbraw/zinc/91/57/92/607915792.db2.gz JPZKKSCTOQKMMD-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1C ZINC000826281225 607915793 /nfs/dbraw/zinc/91/57/93/607915793.db2.gz JPZKKSCTOQKMMD-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305309 608318639 /nfs/dbraw/zinc/31/86/39/608318639.db2.gz RNLRFBGSFFSHTI-KPENOIPVSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826305309 608318641 /nfs/dbraw/zinc/31/86/41/608318641.db2.gz RNLRFBGSFFSHTI-KPENOIPVSA-N -1 3 316.364 3.559 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826286336 609274207 /nfs/dbraw/zinc/27/42/07/609274207.db2.gz YWXLDSJJRAMUFB-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826286336 609274209 /nfs/dbraw/zinc/27/42/09/609274209.db2.gz YWXLDSJJRAMUFB-YVMONPNESA-N -1 3 322.343 3.519 20 30 DHEDHM C=CCCC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000823887946 609470460 /nfs/dbraw/zinc/47/04/60/609470460.db2.gz BJVSORXRHUFDFY-UHFFFAOYSA-N -1 3 316.796 3.664 20 30 DHEDHM C=CCCC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000823887946 609470461 /nfs/dbraw/zinc/47/04/61/609470461.db2.gz BJVSORXRHUFDFY-UHFFFAOYSA-N -1 3 316.796 3.664 20 30 DHEDHM C=C(C)c1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001573295464 947019611 /nfs/dbraw/zinc/01/96/11/947019611.db2.gz RXHDCNLXFKXAFA-UHFFFAOYSA-N -1 3 309.348 3.651 20 30 DHEDHM C=C(C)c1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001573295464 947019624 /nfs/dbraw/zinc/01/96/24/947019624.db2.gz RXHDCNLXFKXAFA-UHFFFAOYSA-N -1 3 309.348 3.651 20 30 DHEDHM CC1(C)CC(Nc2c(C#N)cccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575640521 950894969 /nfs/dbraw/zinc/89/49/69/950894969.db2.gz HZMRDCPWHUCVMR-UHFFFAOYSA-N -1 3 324.432 3.755 20 30 DHEDHM CC1(C)CC(Nc2c(C#N)cccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575640521 950894986 /nfs/dbraw/zinc/89/49/86/950894986.db2.gz HZMRDCPWHUCVMR-UHFFFAOYSA-N -1 3 324.432 3.755 20 30 DHEDHM Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)c([O-])c1 ZINC000331227256 1013864398 /nfs/dbraw/zinc/86/43/98/1013864398.db2.gz DNDGAMMROCMCDX-HNNXBMFYSA-N -1 3 301.390 3.526 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001595885684 982907394 /nfs/dbraw/zinc/90/73/94/982907394.db2.gz AWJULPBVBHBYLB-CYBMUJFWSA-N -1 3 312.369 3.823 20 30 DHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccco1 ZINC000255385372 1015519986 /nfs/dbraw/zinc/51/99/86/1015519986.db2.gz WAMJZWYQWRLFKP-WHLNPGIBSA-N -1 3 318.332 3.674 20 30 DHEDHM CC(C)CC[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001591229268 992109816 /nfs/dbraw/zinc/10/98/16/992109816.db2.gz WQDZKDLIRQTPGP-OAHLLOKOSA-N -1 3 300.402 3.657 20 30 DHEDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000329546918 1015735364 /nfs/dbraw/zinc/73/53/64/1015735364.db2.gz DOKWHGIPODICMA-RDTXWAMCSA-N -1 3 313.397 3.911 20 30 DHEDHM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)c1ccccn1 ZINC000121650579 1015798996 /nfs/dbraw/zinc/79/89/96/1015798996.db2.gz QKMHTHNQLPAQJU-ZDUSSCGKSA-N -1 3 321.311 3.674 20 30 DHEDHM C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001593207263 994215214 /nfs/dbraw/zinc/21/52/14/994215214.db2.gz BINCORAKIRZQTH-RDTXWAMCSA-N -1 3 323.396 3.866 20 30 DHEDHM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc([O-])c(F)c1 ZINC000728425213 1016037525 /nfs/dbraw/zinc/03/75/25/1016037525.db2.gz DVAMQNSORHDYGN-UHFFFAOYSA-N -1 3 320.274 3.522 20 30 DHEDHM COc1cc2c(c(/C=C\C(=O)c3ccc([O-])c(C)c3)c1)O[C@@H](C)C2 ZINC000728439914 1016161984 /nfs/dbraw/zinc/16/19/84/1016161984.db2.gz HEMGYTFCSOIFBB-VGVVRCBHSA-N -1 3 324.376 3.929 20 30 DHEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000846907827 1032144203 /nfs/dbraw/zinc/14/42/03/1032144203.db2.gz KHMKGCLRACICST-AWEZNQCLSA-N -1 3 324.371 3.620 20 30 DHEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc([O-])c(F)c1 ZINC000892201306 1016418395 /nfs/dbraw/zinc/41/83/95/1016418395.db2.gz JVIDANYHWWKFDH-FUHWJXTLSA-N -1 3 310.372 3.803 20 30 DHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(C4CC4)s3)nc21 ZINC000522830800 1016806254 /nfs/dbraw/zinc/80/62/54/1016806254.db2.gz YMKFEKKFLFLTCJ-LLVKDONJSA-N -1 3 322.393 3.695 20 30 DHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccoc1C1CC1 ZINC000342649280 1016920614 /nfs/dbraw/zinc/92/06/14/1016920614.db2.gz WPLPXIFTZAMDGE-CYBMUJFWSA-N -1 3 305.337 3.534 20 30 DHEDHM C=CCN(C(=O)c1ccc([O-])c(C(C)=O)c1)C1CCCCC1 ZINC001148663371 1032431800 /nfs/dbraw/zinc/43/18/00/1032431800.db2.gz ZLVVCLQGEVMIIU-UHFFFAOYSA-N -1 3 301.386 3.556 20 30 DHEDHM CCc1cccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1[O-] ZINC000537642765 1032573469 /nfs/dbraw/zinc/57/34/69/1032573469.db2.gz YWNUXLKDHFAHML-OAHLLOKOSA-N -1 3 314.772 3.603 20 30 DHEDHM N#Cc1cccc(SCc2noc(-c3ccccc3[O-])n2)c1 ZINC000158688037 1017106184 /nfs/dbraw/zinc/10/61/84/1017106184.db2.gz LEVQUWGHJLZCJE-UHFFFAOYSA-N -1 3 309.350 3.606 20 30 DHEDHM COc1cc(C(=O)/C=C\C2=Cc3ccccc3OC2)ccc1[O-] ZINC000255565300 1017985353 /nfs/dbraw/zinc/98/53/53/1017985353.db2.gz BHWHZOSESPBLRX-VURMDHGXSA-N -1 3 308.333 3.616 20 30 DHEDHM N#C[C@H]1CC[C@H](Sc2nnc([N-]c3ccccc3F)s2)C1 ZINC000450632253 1018946243 /nfs/dbraw/zinc/94/62/43/1018946243.db2.gz MSAHWJDCGXMHPX-UWVGGRQHSA-N -1 3 320.418 4.205 20 30 DHEDHM N#Cc1nc2ccc(Nc3cc(F)cc(F)c3[O-])cc2s1 ZINC001212487292 1019467776 /nfs/dbraw/zinc/46/77/76/1019467776.db2.gz DTQFGSVMJBDBRH-UHFFFAOYSA-N -1 3 303.293 3.895 20 30 DHEDHM O=C(Cc1cccc(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000069374678 1019972054 /nfs/dbraw/zinc/97/20/54/1019972054.db2.gz BULGJHTXFHCBTK-UHFFFAOYSA-N -1 3 302.721 3.549 20 30 DHEDHM C[C@H]1Oc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2NC1=O ZINC000255622348 1020035914 /nfs/dbraw/zinc/03/59/14/1020035914.db2.gz FZFBFYJYPUEYJV-SECBINFHSA-N -1 3 316.744 3.516 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000124576147 1020198964 /nfs/dbraw/zinc/19/89/64/1020198964.db2.gz KOMXZSVQJFDBJK-UHFFFAOYSA-N -1 3 308.381 3.625 20 30 DHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2c(F)cccc2Cl)c1[O-] ZINC000751900032 1020857317 /nfs/dbraw/zinc/85/73/17/1020857317.db2.gz VEWJVKZGWLIPBV-PIPHKAODSA-N -1 3 322.767 3.561 20 30 DHEDHM Cc1cc([C@](C)(O)C/N=C\c2cc(Cl)ccc2[O-])c(C)o1 ZINC000741466021 1021009963 /nfs/dbraw/zinc/00/99/63/1021009963.db2.gz BIGNTPWQLNEBEK-SHZLZMIXSA-N -1 3 307.777 3.582 20 30 DHEDHM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000089966732 1021199314 /nfs/dbraw/zinc/19/93/14/1021199314.db2.gz AQUAGEUWQJSNAL-GXTWGEPZSA-N -1 3 308.385 3.617 20 30 DHEDHM COc1ccc(CNN=C(C)c2cc(Cl)ccc2[O-])cc1 ZINC000917547080 1021291243 /nfs/dbraw/zinc/29/12/43/1021291243.db2.gz ILURBOOBSOERDD-UHFFFAOYSA-N -1 3 304.777 3.568 20 30 DHEDHM N#CCc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168523781 1021521581 /nfs/dbraw/zinc/52/15/81/1021521581.db2.gz SFNFWYXHCNUHIJ-UHFFFAOYSA-N -1 3 324.771 3.667 20 30 DHEDHM N#Cc1ccsc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341118416 1021975097 /nfs/dbraw/zinc/97/50/97/1021975097.db2.gz ZNMUFUUNDYOAQP-UHFFFAOYSA-N -1 3 313.294 3.526 20 30 DHEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)[C@H](C)O1 ZINC000901379256 1022119733 /nfs/dbraw/zinc/11/97/33/1022119733.db2.gz SZIYLLUHSSNMFZ-VYUIOLGVSA-N -1 3 318.200 3.525 20 30 DHEDHM Cc1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)no1 ZINC000066801541 1022148067 /nfs/dbraw/zinc/14/80/67/1022148067.db2.gz XXLNEFSMHWSYAD-LLVKDONJSA-N -1 3 301.371 3.630 20 30 DHEDHM COC(=O)c1ccc(C)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000920941991 1022191345 /nfs/dbraw/zinc/19/13/45/1022191345.db2.gz DOTZYCOLJKXXEB-UHFFFAOYSA-N -1 3 303.745 3.891 20 30 DHEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000766579310 1022232662 /nfs/dbraw/zinc/23/26/62/1022232662.db2.gz JCRAARPKJZNZRB-MRXNPFEDSA-N -1 3 324.371 3.622 20 30 DHEDHM N#Cc1cc([O-])ccc1-c1ccc(SC2CCOCC2)nc1 ZINC000854201929 1022428049 /nfs/dbraw/zinc/42/80/49/1022428049.db2.gz XTILCYDFQOGZEX-UHFFFAOYSA-N -1 3 312.394 3.597 20 30 DHEDHM CC(=NN=c1[nH]c2ccccc2n1C)c1ccc([O-])c(Cl)c1 ZINC000768774435 1023025483 /nfs/dbraw/zinc/02/54/83/1023025483.db2.gz UVKZDLMKDFHVKA-UHFFFAOYSA-N -1 3 314.776 3.768 20 30 DHEDHM Cc1ccc([O-])c(C=NOCc2ccc(C(F)(F)F)cc2)n1 ZINC000746578061 1023682518 /nfs/dbraw/zinc/68/25/18/1023682518.db2.gz YMMIIKINRPWMPV-UHFFFAOYSA-N -1 3 310.275 3.665 20 30 DHEDHM N#C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000787841771 1023824912 /nfs/dbraw/zinc/82/49/12/1023824912.db2.gz ABOPMTJLZDRYRU-KRWDZBQOSA-N -1 3 319.376 3.870 20 30 DHEDHM CC(C)[C@@H](C/N=C/c1cc(Cl)ccc1[O-])c1ccnn1C ZINC000788285783 1023869832 /nfs/dbraw/zinc/86/98/32/1023869832.db2.gz LKRZSIALEPDVCV-UHPUNMKFSA-N -1 3 305.809 3.638 20 30 DHEDHM C[C@@H](O[N-]C(=O)CCCc1ccccc1)c1ccc(C#N)cc1 ZINC000194629110 1024009526 /nfs/dbraw/zinc/00/95/26/1024009526.db2.gz AQXPDTZQAKXCOV-OAHLLOKOSA-N -1 3 308.381 3.690 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1COc2cc(F)cc(F)c21 ZINC000783685567 1024257712 /nfs/dbraw/zinc/25/77/12/1024257712.db2.gz PCNAPSDYMYJLGV-LOVBMKLUSA-N -1 3 309.699 3.876 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1COc2cc(F)cc(F)c21 ZINC000783685569 1024258061 /nfs/dbraw/zinc/25/80/61/1024258061.db2.gz PCNAPSDYMYJLGV-PGMACEPVSA-N -1 3 309.699 3.876 20 30 DHEDHM CCC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000790307362 1024280143 /nfs/dbraw/zinc/28/01/43/1024280143.db2.gz XBUIQDIIRYZRGO-UHFFFAOYSA-N -1 3 321.283 3.805 20 30 DHEDHM C=CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccncc1 ZINC000792175989 1024644545 /nfs/dbraw/zinc/64/45/45/1024644545.db2.gz ZJJDZWDNZGLJSH-SFHVURJKSA-N -1 3 318.376 3.988 20 30 DHEDHM CC[C@@H](C)CON=Cc1cc(Br)c([O-])c(OC)c1 ZINC000793157478 1024916638 /nfs/dbraw/zinc/91/66/38/1024916638.db2.gz BHMOMOYJPBIHFT-SECBINFHSA-N -1 3 316.195 3.560 20 30 DHEDHM C=CCN(CCC#N)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000793559660 1025102655 /nfs/dbraw/zinc/10/26/55/1025102655.db2.gz COORNOSZZVFRDX-UHFFFAOYSA-N -1 3 310.397 3.919 20 30 DHEDHM C=CCOc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000354128600 1025365144 /nfs/dbraw/zinc/36/51/44/1025365144.db2.gz VNWMYPYMFMXTQB-UHFFFAOYSA-N -1 3 317.772 3.540 20 30 DHEDHM CCC(N=Nc1nccnc1C1CCC1)c1ccc([O-])c(F)c1 ZINC000807990624 1026166569 /nfs/dbraw/zinc/16/65/69/1026166569.db2.gz BHRWLJRIMLUMRQ-UHFFFAOYSA-N -1 3 314.364 3.815 20 30 DHEDHM CC(=NNCCCOc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000729147665 1026382084 /nfs/dbraw/zinc/38/20/84/1026382084.db2.gz IXRZOASCMOSVSQ-UHFFFAOYSA-N -1 3 318.804 3.828 20 30 DHEDHM COC(=O)CCc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000729150238 1026383482 /nfs/dbraw/zinc/38/34/82/1026383482.db2.gz UCRHNKCXZBXJOH-UHFFFAOYSA-N -1 3 317.772 3.902 20 30 DHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Oc3cccnc3)cc2)c1O ZINC000809144209 1026467132 /nfs/dbraw/zinc/46/71/32/1026467132.db2.gz HFIZBQMWAGKOAB-UHFFFAOYSA-N -1 3 322.320 3.741 20 30 DHEDHM Cc1csc([N-]C(=O)c2ccoc2C(F)(F)F)c1C#N ZINC000362246867 1027110168 /nfs/dbraw/zinc/11/01/68/1027110168.db2.gz VHILZJNXEHQKCZ-UHFFFAOYSA-N -1 3 300.261 3.792 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C)nc1C(F)F ZINC000812241377 1027223979 /nfs/dbraw/zinc/22/39/79/1027223979.db2.gz HHDTVORZIHCZDM-JGESFRBXSA-N -1 3 322.286 3.586 20 30 DHEDHM CCCCCCC(C=NN1CC(=O)[N-]C1=O)=Cc1ccccc1 ZINC000812452272 1027289295 /nfs/dbraw/zinc/28/92/95/1027289295.db2.gz SKSRRXCHQGGQTE-HHJOHKHFSA-N -1 3 313.401 3.578 20 30 DHEDHM CCc1cc(=O)[n-]c(CSCCC2(C#N)CCCCC2)n1 ZINC000575854173 1027516877 /nfs/dbraw/zinc/51/68/77/1027516877.db2.gz WSGPJXXFEXHIMG-UHFFFAOYSA-N -1 3 305.447 3.842 20 30 DHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000007333198 1027796103 /nfs/dbraw/zinc/79/61/03/1027796103.db2.gz DOYOGZJMWYNKIS-KWINOFQJSA-N -1 3 313.284 3.823 20 30 DHEDHM COc1cc(C(=O)/C=C/c2cc(F)c(F)c(F)c2)ccc1[O-] ZINC000076106361 1028558258 /nfs/dbraw/zinc/55/82/58/1028558258.db2.gz GOHRLQCMUXSJQT-DUXPYHPUSA-N -1 3 308.255 3.714 20 30 DHEDHM C[C@@H](NCc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815618174 1028572475 /nfs/dbraw/zinc/57/24/75/1028572475.db2.gz GINLRJBXJFJYJW-SNVBAGLBSA-N -1 3 321.302 3.528 20 30 DHEDHM Cc1cc(C(C#N)=C([O-])c2csc3c2CCCC3)nc(C)n1 ZINC000041574674 1028758198 /nfs/dbraw/zinc/75/81/98/1028758198.db2.gz MWMSHHFBMRLZBN-ZDUSSCGKSA-N -1 3 311.410 3.524 20 30 DHEDHM CCc1nnsc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000410927927 1028978293 /nfs/dbraw/zinc/97/82/93/1028978293.db2.gz LBOVJDBBSWVTDA-UHFFFAOYSA-N -1 3 320.443 3.583 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)no1 ZINC000411024009 1029001524 /nfs/dbraw/zinc/00/15/24/1029001524.db2.gz YYNMAXUNRXQPSK-DTWKUNHWSA-N -1 3 315.398 3.854 20 30 DHEDHM Cc1ncc(CO)c(/C=N/[C@H](CC(C)C)c2ccccc2)c1[O-] ZINC000005111166 1029912144 /nfs/dbraw/zinc/91/21/44/1029912144.db2.gz FVABJMZKNPZPTA-PGNNWUFWSA-N -1 3 312.413 3.794 20 30 DHEDHM COc1cccc(F)c1[C@@H](C)N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866273061 1030195266 /nfs/dbraw/zinc/19/52/66/1030195266.db2.gz BZTJDMXZLBJVIX-VXGBXAGGSA-N -1 3 314.360 3.823 20 30 DHEDHM CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])CCC2 ZINC000866340487 1030239911 /nfs/dbraw/zinc/23/99/11/1030239911.db2.gz JUBVKAZHWKLFQM-SUMWQHHRSA-N -1 3 324.428 3.769 20 30 DHEDHM CCOc1cccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794934032 1030386558 /nfs/dbraw/zinc/38/65/58/1030386558.db2.gz FLBBCMNKAFEVQM-VURMDHGXSA-N -1 3 304.292 3.965 20 30 DHEDHM N#Cc1ncc(Nc2ccc([O-])c(F)c2F)cc1C(F)(F)F ZINC001212002955 1030626975 /nfs/dbraw/zinc/62/69/75/1030626975.db2.gz LEFXFPFBISSBQT-UHFFFAOYSA-N -1 3 315.201 3.699 20 30 DHEDHM O=C(Cc1ccc2c(c1)CCCC2)Nc1n[n-]c(-c2ccco2)n1 ZINC000075816714 1030694819 /nfs/dbraw/zinc/69/48/19/1030694819.db2.gz MCHNUOGURLBCCA-UHFFFAOYSA-N -1 3 322.368 3.774 20 30 DHEDHM Cc1c(C(=O)/C=C/c2ccc([O-])cc2F)cnn1C(C)(C)C ZINC000844551927 1031208368 /nfs/dbraw/zinc/20/83/68/1031208368.db2.gz VQGFYDIJJVJZBY-SOFGYWHQSA-N -1 3 302.349 3.687 20 30 DHEDHM O=C(/C=C\c1ccc([O-])cc1F)c1cnn(C2CCCC2)c1 ZINC000844552612 1031211579 /nfs/dbraw/zinc/21/15/79/1031211579.db2.gz MNMZMCMIDUCEJA-VURMDHGXSA-N -1 3 300.333 3.739 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871596837 1031240939 /nfs/dbraw/zinc/24/09/39/1031240939.db2.gz FHRMAVAHYOJVCW-PVJSPINKSA-N -1 3 324.218 3.531 20 30 DHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000846546538 1031997759 /nfs/dbraw/zinc/99/77/59/1031997759.db2.gz CRXGAJLBEWSEKU-QWRGUYRKSA-N -1 3 312.207 3.565 20 30 DHEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000846545013 1031998449 /nfs/dbraw/zinc/99/84/49/1031998449.db2.gz DJTPIQQIJPZWOU-GHMZBOCLSA-N -1 3 301.308 3.821 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000846756734 1032049496 /nfs/dbraw/zinc/04/94/96/1032049496.db2.gz LDJSFYVNLAXRJB-OEXJPJRNSA-N -1 3 321.726 3.965 20 30 DHEDHM N#Cc1ccc(F)c(Nc2ccc(Br)cc2[O-])c1 ZINC001214598571 1033696742 /nfs/dbraw/zinc/69/67/42/1033696742.db2.gz SWXRGQPMLAAYLC-UHFFFAOYSA-N -1 3 307.122 3.909 20 30 DHEDHM COC1CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863128392 1034004198 /nfs/dbraw/zinc/00/41/98/1034004198.db2.gz MQTJZOXWICVNJY-UHFFFAOYSA-N -1 3 302.403 3.649 20 30 DHEDHM CC(C)(C)c1noc([N-]c2cnn(Cc3ccccc3)c2)c1C#N ZINC001174132231 1034157299 /nfs/dbraw/zinc/15/72/99/1034157299.db2.gz NPMLAXBKHKGPKH-UHFFFAOYSA-N -1 3 321.384 3.832 20 30 DHEDHM CCC(=NOCCSC)c1cc(Br)ccc1[O-] ZINC000794571753 1034227238 /nfs/dbraw/zinc/22/72/38/1034227238.db2.gz GWAZXOAZQFQEFH-UHFFFAOYSA-N -1 3 318.236 3.648 20 30 DHEDHM CCOc1cc(C=NOCCC(F)(F)F)cc(Cl)c1[O-] ZINC000777461207 1034752148 /nfs/dbraw/zinc/75/21/48/1034752148.db2.gz WIAUBRZMCIXAQA-UHFFFAOYSA-N -1 3 311.687 3.747 20 30 DHEDHM CSC(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378289 1035136462 /nfs/dbraw/zinc/13/64/62/1035136462.db2.gz KDFHOXLRJRHFSY-UHFFFAOYSA-N -1 3 308.230 3.853 20 30 DHEDHM C[C@H]1C(=O)CC[C@@H]1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170908 1035380785 /nfs/dbraw/zinc/38/07/85/1035380785.db2.gz GVSIHAWTFLZFMT-UKRRQHHQSA-N -1 3 311.381 3.563 20 30 DHEDHM Cc1oc(C(C)C)nc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904193704 1035383336 /nfs/dbraw/zinc/38/33/36/1035383336.db2.gz VRMYALAJJFOBEJ-UHFFFAOYSA-N -1 3 308.765 3.791 20 30 DHEDHM Cc1noc(C)c1[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904196995 1035383592 /nfs/dbraw/zinc/38/35/92/1035383592.db2.gz NQKCYEMORHMNAY-ZDUSSCGKSA-N -1 3 316.401 3.636 20 30 DHEDHM CO[C@H]1CCC[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193813 1035383845 /nfs/dbraw/zinc/38/38/45/1035383845.db2.gz WBBQNIZWSACYBN-OCCSQVGLSA-N -1 3 311.809 3.653 20 30 DHEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001193386206 1035623183 /nfs/dbraw/zinc/62/31/83/1035623183.db2.gz NICBKFMRSREHNB-UHFFFAOYSA-N -1 3 319.829 3.750 20 30 DHEDHM C[C@@H](C#N)Oc1ccccc1NCc1cc(F)c(F)cc1[O-] ZINC001180301171 1035638505 /nfs/dbraw/zinc/63/85/05/1035638505.db2.gz KAWKFEUYMOCHGW-JTQLQIEISA-N -1 3 304.296 3.573 20 30 DHEDHM CCc1cc(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)no1 ZINC000906264027 1035893270 /nfs/dbraw/zinc/89/32/70/1035893270.db2.gz CVKFOLTYTIMDII-UHFFFAOYSA-N -1 3 315.398 3.646 20 30 DHEDHM COc1ccc([C@@H](C(=O)Nc2ccc([O-])c(C#N)c2)C(C)C)cc1 ZINC001182993270 1036495629 /nfs/dbraw/zinc/49/56/29/1036495629.db2.gz KXCPZEXIZLAKKX-SFHVURJKSA-N -1 3 324.380 3.651 20 30 DHEDHM CCCCN([O-])C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001184314633 1036795844 /nfs/dbraw/zinc/79/58/44/1036795844.db2.gz CXRDWBJKKMAFGS-LLVKDONJSA-N -1 3 303.324 3.902 20 30 DHEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c2ncccc12 ZINC001184347859 1036821311 /nfs/dbraw/zinc/82/13/11/1036821311.db2.gz HLQKTQSJJAKFSP-UHFFFAOYSA-N -1 3 310.328 3.714 20 30 DHEDHM O=C(c1ccc(C(F)F)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC001184348458 1036823280 /nfs/dbraw/zinc/82/32/80/1036823280.db2.gz OLJDAQPRFFWTHO-UHFFFAOYSA-N -1 3 313.250 3.934 20 30 DHEDHM [O-]/N=C1/CCc2cc(N[C@@H](c3ccccn3)C(F)(F)F)ccc21 ZINC001168491934 1036855397 /nfs/dbraw/zinc/85/53/97/1036855397.db2.gz RDHZSACTRWQPAT-PXNCGERRSA-N -1 3 321.302 3.922 20 30 DHEDHM Cc1cccc(Cl)c1NC(=O)Nc1ccc([O-])cc1C#N ZINC001184540254 1036868141 /nfs/dbraw/zinc/86/81/41/1036868141.db2.gz CGSPBFVBLBHRKS-UHFFFAOYSA-N -1 3 301.733 3.870 20 30 DHEDHM [O-]c1ccc(Cl)cc1/C=N/C1CCN(c2ccccn2)CC1 ZINC000044009831 1036905065 /nfs/dbraw/zinc/90/50/65/1036905065.db2.gz RKEAOFWKZFJEKO-UDWIEESQSA-N -1 3 315.804 3.529 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCC(F)(F)C1 ZINC000763096153 1037250967 /nfs/dbraw/zinc/25/09/67/1037250967.db2.gz HAVKKQPSCHFEKS-QOZZSIDGSA-N -1 3 304.134 3.761 20 30 DHEDHM CC(=NNCc1cccc2cccnc21)c1cc(F)ccc1[O-] ZINC000915963163 1037634929 /nfs/dbraw/zinc/63/49/29/1037634929.db2.gz NXRRBCAADDJUIA-UHFFFAOYSA-N -1 3 309.344 3.593 20 30 DHEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)[nH]2)ccc1[O-] ZINC001189016362 1038047698 /nfs/dbraw/zinc/04/76/98/1038047698.db2.gz DWUZGDFTOXQBMM-UHFFFAOYSA-N -1 3 303.321 3.511 20 30 DHEDHM Cc1cc(C#N)c([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC001189182812 1038080264 /nfs/dbraw/zinc/08/02/64/1038080264.db2.gz CJDKJBQLLIFAGM-UHFFFAOYSA-N -1 3 315.379 3.897 20 30 DHEDHM Cn1c(=O)ccc2ccc(N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000775234480 1038118957 /nfs/dbraw/zinc/11/89/57/1038118957.db2.gz RXMOITIDAIAWLJ-UHFFFAOYSA-N -1 3 312.756 3.648 20 30 DHEDHM Cc1coc([N-]C(=O)c2sc(-c3cccnc3)nc2C)c1C#N ZINC001190176697 1038275554 /nfs/dbraw/zinc/27/55/54/1038275554.db2.gz JCOUGBICYHCVKH-UHFFFAOYSA-N -1 3 324.365 3.539 20 30 DHEDHM N#CCCCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000588285158 1038292689 /nfs/dbraw/zinc/29/26/89/1038292689.db2.gz JZHHNAKGABCOLG-UHFFFAOYSA-N -1 3 311.179 3.567 20 30 DHEDHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000591390174 1038833619 /nfs/dbraw/zinc/83/36/19/1038833619.db2.gz ZSZAETFURPVHJA-LLVKDONJSA-N -1 3 311.410 3.926 20 30 DHEDHM CCOc1ccc(N(CCC#N)C(=O)c2c(C)cccc2[O-])cc1 ZINC000599315931 1039118391 /nfs/dbraw/zinc/11/83/91/1039118391.db2.gz WONFFDNLHQJIKQ-UHFFFAOYSA-N -1 3 324.380 3.660 20 30 DHEDHM N#Cc1ccc([O-])c(Nc2cccc(OCC(F)(F)F)c2)c1 ZINC001212171359 1039190539 /nfs/dbraw/zinc/19/05/39/1039190539.db2.gz QIKUGKHTYAGKPB-UHFFFAOYSA-N -1 3 308.259 3.949 20 30 DHEDHM CC(C)c1ccc(C(=O)N2Cc3cccc(C#N)c3C2)c([O-])c1 ZINC000593888547 1039723815 /nfs/dbraw/zinc/72/38/15/1039723815.db2.gz QFZJMEZMQGPUHO-UHFFFAOYSA-N -1 3 306.365 3.543 20 30 DHEDHM N#Cc1cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)ccc1[O-] ZINC000593952338 1039796632 /nfs/dbraw/zinc/79/66/32/1039796632.db2.gz JWUIKVAAKYHEIA-UHFFFAOYSA-N -1 3 304.349 3.695 20 30 DHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000602342429 1040989056 /nfs/dbraw/zinc/98/90/56/1040989056.db2.gz MJCVUUMJRWIPGU-IUCAKERBSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417628750 335017956 /nfs/dbraw/zinc/01/79/56/335017956.db2.gz WMLHDLOMQSCTQG-MSOLQXFVSA-N -1 3 323.392 3.654 20 30 DHEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000417632777 335020138 /nfs/dbraw/zinc/02/01/38/335020138.db2.gz XBMBYYCEMWDZHI-LLVKDONJSA-N -1 3 321.726 3.868 20 30 DHEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000024034577 182373208 /nfs/dbraw/zinc/37/32/08/182373208.db2.gz QJAUNNPEZNAHFS-INIZCTEOSA-N -1 3 314.772 3.798 20 30 DHEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cocn3)sc2[C@@H](C)C1 ZINC000297827719 132036341 /nfs/dbraw/zinc/03/63/41/132036341.db2.gz MMMRQKOAQUTOFK-IUCAKERBSA-N -1 3 301.371 3.546 20 30 DHEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)no1 ZINC000297903832 132039587 /nfs/dbraw/zinc/03/95/87/132039587.db2.gz REQBHYOVQLGYKC-PSASIEDQSA-N -1 3 315.398 3.854 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000292763586 335094578 /nfs/dbraw/zinc/09/45/78/335094578.db2.gz LICYYDPRENPUFA-LLVKDONJSA-N -1 3 301.333 3.690 20 30 DHEDHM Cc1c(/N=C/c2ccccc2[O-])cccc1C(=O)N1CCCC1 ZINC000121485173 332396339 /nfs/dbraw/zinc/39/63/39/332396339.db2.gz SYLZAQIGEZFTMF-DEDYPNTBSA-N -1 3 308.381 3.687 20 30 DHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1nc(C2CCCCC2)no1 ZINC000293434586 335106153 /nfs/dbraw/zinc/10/61/53/335106153.db2.gz OBNNYYVLNUNAKS-SNVBAGLBSA-N -1 3 313.348 3.506 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)o1 ZINC000531127687 332477353 /nfs/dbraw/zinc/47/73/53/332477353.db2.gz DPLKZIIWBZNJRZ-MRVPVSSYSA-N -1 3 315.398 3.602 20 30 DHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000155082740 332759346 /nfs/dbraw/zinc/75/93/46/332759346.db2.gz FYXMIXMPLYOBNX-SHZQXCMSSA-N -1 3 324.218 3.531 20 30 DHEDHM C=CCC[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000186893317 333380916 /nfs/dbraw/zinc/38/09/16/333380916.db2.gz PMCRHIQQPXTKBA-MRXNPFEDSA-N -1 3 313.372 3.898 20 30 DHEDHM Cc1onc(C2CC2)c1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000563121168 333392864 /nfs/dbraw/zinc/39/28/64/333392864.db2.gz YONRRPHNPNQNGK-UHFFFAOYSA-N -1 3 313.382 3.535 20 30 DHEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@@H]1COC2(CCCC2)O1 ZINC000271540060 334024407 /nfs/dbraw/zinc/02/44/07/334024407.db2.gz QQCHAMREXDFLBR-RVZJCZPVSA-N -1 3 311.381 3.650 20 30 DHEDHM CCCCCCCCCCC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000273206336 334044153 /nfs/dbraw/zinc/04/41/53/334044153.db2.gz JBFYWPMODWDJTP-UHFFFAOYSA-N -1 3 319.449 3.598 20 30 DHEDHM CCCc1nc(C(=O)[N-]c2ccccc2SCCC#N)co1 ZINC000273565471 334048572 /nfs/dbraw/zinc/04/85/72/334048572.db2.gz DZNOPAHIRPZMSL-UHFFFAOYSA-N -1 3 315.398 3.885 20 30 DHEDHM CC(C)(C)[C@@H](C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295096319 334218403 /nfs/dbraw/zinc/21/84/03/334218403.db2.gz JVATUHAKNFPAON-MRXNPFEDSA-N -1 3 310.397 3.532 20 30 DHEDHM C[C@H](C(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000349515587 335678159 /nfs/dbraw/zinc/67/81/59/335678159.db2.gz CPZFVUYLGVADIM-GMSGAONNSA-N -1 3 324.224 3.585 20 30 DHEDHM CC1(C)CC[C@@H](NC(=O)c2csc(=O)[n-]2)c2ccccc21 ZINC000329972424 336101621 /nfs/dbraw/zinc/10/16/21/336101621.db2.gz ZAQZWBUIRQZAML-GFCCVEGCSA-N -1 3 302.399 3.966 20 30 DHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000352197375 336200986 /nfs/dbraw/zinc/20/09/86/336200986.db2.gz QXDIVESPQWPAQV-UHFFFAOYSA-N -1 3 311.381 3.619 20 30 DHEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)nc2c1 ZINC000353879824 336445562 /nfs/dbraw/zinc/44/55/62/336445562.db2.gz VSKKIXYRCQTFNK-GFCCVEGCSA-N -1 3 324.409 3.713 20 30 DHEDHM C=C(C)CS(=O)(=O)[N-]c1ccc(-c2ncc(C(C)C)o2)cc1 ZINC000378002803 337064954 /nfs/dbraw/zinc/06/49/54/337064954.db2.gz CEFDKCMUENXHQC-UHFFFAOYSA-N -1 3 320.414 3.783 20 30 DHEDHM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1ccccn1 ZINC000181410602 337183909 /nfs/dbraw/zinc/18/39/09/337183909.db2.gz SJHKINKGBMHAIB-CQSZACIVSA-N -1 3 303.321 3.535 20 30 DHEDHM N#CCc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000188983388 337276242 /nfs/dbraw/zinc/27/62/42/337276242.db2.gz SINPSEUQNKNCSY-UHFFFAOYSA-N -1 3 320.270 3.729 20 30 DHEDHM CCc1cc(C#N)c([N-]C(=O)c2noc3c2C[C@@H](C)CC3)s1 ZINC000434247640 338213367 /nfs/dbraw/zinc/21/33/67/338213367.db2.gz XZLKRGDKHPSEOQ-VIFPVBQESA-N -1 3 315.398 3.547 20 30 DHEDHM N#CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCC1 ZINC000436565402 338277206 /nfs/dbraw/zinc/27/72/06/338277206.db2.gz JJWFOXZTEURLLF-UHFFFAOYSA-N -1 3 322.364 3.751 20 30 DHEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000436614685 338280083 /nfs/dbraw/zinc/28/00/83/338280083.db2.gz ALWLULXKXGYQKU-CYBMUJFWSA-N -1 3 321.163 3.694 20 30 DHEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CC)cc1[O-] ZINC000436810458 338288208 /nfs/dbraw/zinc/28/82/08/338288208.db2.gz RVGISNSGEFWVEO-UHFFFAOYSA-N -1 3 322.408 3.879 20 30 DHEDHM C=C(C)CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436889269 338291986 /nfs/dbraw/zinc/29/19/86/338291986.db2.gz VVZZSOKKXBYPBS-UHFFFAOYSA-N -1 3 309.409 3.826 20 30 DHEDHM N#Cc1c([N-]C(=O)c2sccc2F)sc2c1CCCC2 ZINC000459840087 339049876 /nfs/dbraw/zinc/04/98/76/339049876.db2.gz AIQSKGAYNNDRNE-UHFFFAOYSA-N -1 3 306.387 3.951 20 30 DHEDHM C=CCn1c(=O)[n-]nc1SCCc1ccc2ccccc2c1 ZINC000470819969 339328859 /nfs/dbraw/zinc/32/88/59/339328859.db2.gz AUBIBZJRUNIXGH-UHFFFAOYSA-N -1 3 311.410 3.658 20 30 DHEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471716896 339352095 /nfs/dbraw/zinc/35/20/95/339352095.db2.gz WONRHVZSXCKFGM-UHFFFAOYSA-N -1 3 316.360 3.689 20 30 DHEDHM C=CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000472695877 339376332 /nfs/dbraw/zinc/37/63/32/339376332.db2.gz BFAUREIKVYVOGU-UHFFFAOYSA-N -1 3 308.230 3.628 20 30 DHEDHM C=CCN(C(=O)c1cccc([O-])c1)c1nc2c(s1)CCCC2 ZINC000509130193 340262015 /nfs/dbraw/zinc/26/20/15/340262015.db2.gz SASIKNRYLLFMJJ-UHFFFAOYSA-N -1 3 314.410 3.560 20 30 DHEDHM [O-]c1cc(F)cc(CNCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000185564770 340502854 /nfs/dbraw/zinc/50/28/54/340502854.db2.gz ZIBMOTYIJLNSLS-UHFFFAOYSA-N -1 3 323.289 3.691 20 30 DHEDHM Cc1nc(C)c(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)o1 ZINC000073477530 341117251 /nfs/dbraw/zinc/11/72/51/341117251.db2.gz DVXPKXCGUYWCHR-SNVBAGLBSA-N -1 3 315.398 3.796 20 30 DHEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1Br ZINC000080255823 341271599 /nfs/dbraw/zinc/27/15/99/341271599.db2.gz HYQSOOSHSYYNJS-LBPRGKRZSA-N -1 3 315.170 3.643 20 30 DHEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000548816720 341276806 /nfs/dbraw/zinc/27/68/06/341276806.db2.gz ZAGFKHBHIOMMQT-CZUORRHYSA-N -1 3 303.402 3.609 20 30 DHEDHM CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000088547196 341400486 /nfs/dbraw/zinc/40/04/86/341400486.db2.gz LRBNBZILFDJCIK-UHFFFAOYSA-N -1 3 320.801 3.575 20 30 DHEDHM CCc1cc(C(=O)N[C@](C)(C#N)C2CCCCC2)ccc1[O-] ZINC000575969900 341817610 /nfs/dbraw/zinc/81/76/10/341817610.db2.gz PKRNAEHPPCSYAV-GOSISDBHSA-N -1 3 300.402 3.547 20 30 DHEDHM Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)c([O-])c1C ZINC000576010912 341820065 /nfs/dbraw/zinc/82/00/65/341820065.db2.gz UUEJKDMPRYBKRX-SFHVURJKSA-N -1 3 300.402 3.601 20 30 DHEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cscn1 ZINC000102994591 526537931 /nfs/dbraw/zinc/53/79/31/526537931.db2.gz QLTWOPVLYZYIBQ-UHFFFAOYSA-N -1 3 311.391 3.996 20 30 DHEDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820555312 599344648 /nfs/dbraw/zinc/34/46/48/599344648.db2.gz IVTSVPDVWBRFRE-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820555312 599344651 /nfs/dbraw/zinc/34/46/51/599344651.db2.gz IVTSVPDVWBRFRE-NSHDSACASA-N -1 3 307.382 3.592 20 30 DHEDHM c1ccc([C@H]2CCCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738429322 598741010 /nfs/dbraw/zinc/74/10/10/598741010.db2.gz XCRCBTONOAAEMP-MRXNPFEDSA-N -1 3 318.384 3.602 20 30 DHEDHM c1ccc([C@H]2CCCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738429322 598741012 /nfs/dbraw/zinc/74/10/12/598741012.db2.gz XCRCBTONOAAEMP-MRXNPFEDSA-N -1 3 318.384 3.602 20 30 DHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000736663379 600590255 /nfs/dbraw/zinc/59/02/55/600590255.db2.gz YJPOZWCCWABRMV-BDJLRTHQSA-N -1 3 314.772 3.688 20 30 DHEDHM CCN(Cc1ccsc1C(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000829734917 601807782 /nfs/dbraw/zinc/80/77/82/601807782.db2.gz UOTNLNBDKSQDJN-GFCCVEGCSA-N -1 3 314.410 3.901 20 30 DHEDHM C[C@@H]1CC(=Cc2cccc(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824860468 607681284 /nfs/dbraw/zinc/68/12/84/607681284.db2.gz UYTUVYAOVNWZHR-PKVLTRFUSA-N -1 3 316.364 3.640 20 30 DHEDHM C[C@@H]1CC(=Cc2cccc(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824860468 607681287 /nfs/dbraw/zinc/68/12/87/607681287.db2.gz UYTUVYAOVNWZHR-PKVLTRFUSA-N -1 3 316.364 3.640 20 30 DHEDHM CC(C)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820187654 606303699 /nfs/dbraw/zinc/30/36/99/606303699.db2.gz LBADLDRCADNYAE-FPLPWBNLSA-N -1 3 324.409 3.948 20 30 DHEDHM CC(C)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820187654 606303700 /nfs/dbraw/zinc/30/37/00/606303700.db2.gz LBADLDRCADNYAE-FPLPWBNLSA-N -1 3 324.409 3.948 20 30 DHEDHM CCCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821139335 606388706 /nfs/dbraw/zinc/38/87/06/606388706.db2.gz UGPRDKJZNYBIPJ-NTMALXAHSA-N -1 3 324.409 3.777 20 30 DHEDHM CC(C)(C#N)CCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824058825 607844075 /nfs/dbraw/zinc/84/40/75/607844075.db2.gz DJLGONGFCBIQJU-UHFFFAOYSA-N -1 3 321.837 3.942 20 30 DHEDHM CC(C)(C#N)CCCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824058825 607844076 /nfs/dbraw/zinc/84/40/76/607844076.db2.gz DJLGONGFCBIQJU-UHFFFAOYSA-N -1 3 321.837 3.942 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826264673 608880549 /nfs/dbraw/zinc/88/05/49/608880549.db2.gz WEJSYBGEWHUACH-XQRVVYSFSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826264673 608880550 /nfs/dbraw/zinc/88/05/50/608880550.db2.gz WEJSYBGEWHUACH-XQRVVYSFSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826285043 609272252 /nfs/dbraw/zinc/27/22/52/609272252.db2.gz OEJJPIXAIRHACO-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM Cc1ccc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826285043 609272254 /nfs/dbraw/zinc/27/22/54/609272254.db2.gz OEJJPIXAIRHACO-SOFGYWHQSA-N -1 3 322.343 3.519 20 30 DHEDHM