smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CN(Cc2ccccn2)CCC1=NNC(=O)[O-] ZINC000736814070 978358252 /nfs/dbraw/zinc/35/82/52/978358252.db2.gz HUVAGNHCBGDLST-JTQLQIEISA-N -1 1 262.313 1.547 20 50 CDGDMM CC[C@@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)N(C)C ZINC001594736799 987279147 /nfs/dbraw/zinc/27/91/47/987279147.db2.gz OLRZIRXUFITKHH-LBPRGKRZSA-N -1 1 279.340 1.097 20 50 CDGDMM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC001599830848 988671569 /nfs/dbraw/zinc/67/15/69/988671569.db2.gz JYMYMOUZSIBBGR-ZETCQYMHSA-N -1 1 285.731 1.431 20 50 CDGDMM O=C(NNc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449150 607338479 /nfs/dbraw/zinc/33/84/79/607338479.db2.gz DQQJAQMBSGZKCY-UHFFFAOYSA-N -1 1 299.269 1.158 20 50 CDGDMM O=C(NNc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449150 607338481 /nfs/dbraw/zinc/33/84/81/607338481.db2.gz DQQJAQMBSGZKCY-UHFFFAOYSA-N -1 1 299.269 1.158 20 50 CDGDMM O=C(NNc1cccc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449399 607340073 /nfs/dbraw/zinc/34/00/73/607340073.db2.gz QAMWEJAMBAEKNQ-UHFFFAOYSA-N -1 1 299.269 1.158 20 50 CDGDMM O=C(NNc1cccc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826449399 607340075 /nfs/dbraw/zinc/34/00/75/607340075.db2.gz QAMWEJAMBAEKNQ-UHFFFAOYSA-N -1 1 299.269 1.158 20 50 CDGDMM O=C([O-])C1CCN(CCI)CC1 ZINC001594933585 954839997 /nfs/dbraw/zinc/83/99/97/954839997.db2.gz WDYNLIMVXDFKPC-UHFFFAOYSA-N -1 1 283.109 1.218 20 50 CDGDMM Cc1cc(NNC(=O)c2ccc(C(=O)[O-])cc2)nc(C)n1 ZINC000738461381 955241812 /nfs/dbraw/zinc/24/18/12/955241812.db2.gz ACKXHWRBEIIWTG-UHFFFAOYSA-N -1 1 286.291 1.549 20 50 CDGDMM Cc1cc(NNC(=O)[C@H](C(=O)[O-])C2CCCC2)nc(C)n1 ZINC001605213378 972955456 /nfs/dbraw/zinc/95/54/56/972955456.db2.gz GQZJYNMIAUROMP-GFCCVEGCSA-N -1 1 292.339 1.428 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001592039542 976762256 /nfs/dbraw/zinc/76/22/56/976762256.db2.gz MGOOKKZFPWMMJX-DTWKUNHWSA-N -1 1 278.312 1.154 20 50 CDGDMM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820137295 945359787 /nfs/dbraw/zinc/35/97/87/945359787.db2.gz IJPPYUIZYBRNHH-YVMONPNESA-N -1 1 289.320 1.787 20 50 CDGDMM C[C@H](C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573730347 948579489 /nfs/dbraw/zinc/57/94/89/948579489.db2.gz ORABLRZSRFPVAA-QMMMGPOBSA-N -1 1 299.294 1.102 20 50 CDGDMM C[C@@](C#N)(CC(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC000819846345 955452922 /nfs/dbraw/zinc/45/29/22/955452922.db2.gz ARNJSHVSLNIEFT-HNNXBMFYSA-N -1 1 298.302 1.104 20 50 CDGDMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001589220256 956767134 /nfs/dbraw/zinc/76/71/34/956767134.db2.gz ZSSNTGQBMBUQQO-NSHDSACASA-N -1 1 284.703 1.074 20 50 CDGDMM O=C([O-])[C@@H](C(=O)NNc1ccnc2ccccc21)C1CC1 ZINC001605901275 972734876 /nfs/dbraw/zinc/73/48/76/972734876.db2.gz OKPGLIODSKOEFT-CYBMUJFWSA-N -1 1 285.303 1.211 20 50 CDGDMM O=C([O-])CCCC(=O)NNC(=O)c1cc2ccccc2o1 ZINC001595027882 951357825 /nfs/dbraw/zinc/35/78/25/951357825.db2.gz ULZULINSCVFZLW-UHFFFAOYSA-N -1 1 290.275 1.449 20 50 CDGDMM CCCN(C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595835772 982739003 /nfs/dbraw/zinc/73/90/03/982739003.db2.gz RUFGULMNNFIMEF-UHFFFAOYSA-N -1 1 299.758 1.823 20 50 CDGDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1ncc(F)cn1 ZINC001599957084 985707004 /nfs/dbraw/zinc/70/70/04/985707004.db2.gz CVYKQJCQEDXBJX-UHFFFAOYSA-N -1 1 293.258 1.016 20 50 CDGDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NN=c1ncc(F)c[nH]1 ZINC001599957084 985707015 /nfs/dbraw/zinc/70/70/15/985707015.db2.gz CVYKQJCQEDXBJX-UHFFFAOYSA-N -1 1 293.258 1.016 20 50 CDGDMM O=C([O-])c1ccc(C(=O)NNc2ncc(F)cn2)cc1 ZINC000821544089 955516752 /nfs/dbraw/zinc/51/67/52/955516752.db2.gz DLHODTVTQGFNGR-UHFFFAOYSA-N -1 1 276.227 1.071 20 50 CDGDMM O=C([O-])c1ccc(C(=O)NN=c2ncc(F)c[nH]2)cc1 ZINC000821544089 955516761 /nfs/dbraw/zinc/51/67/61/955516761.db2.gz DLHODTVTQGFNGR-UHFFFAOYSA-N -1 1 276.227 1.071 20 50 CDGDMM Cc1[nH]c(C(=O)NN=c2cc(C)nc[nH]2)c(C)c1C(=O)[O-] ZINC000738241352 978505954 /nfs/dbraw/zinc/50/59/54/978505954.db2.gz SHXIEZIQGFFOBU-UHFFFAOYSA-N -1 1 289.295 1.185 20 50 CDGDMM CC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820860286 945575266 /nfs/dbraw/zinc/57/52/66/945575266.db2.gz JBGAFXZHJUNKBM-CYXIBPNKSA-N -1 1 271.280 1.982 20 50 CDGDMM CC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820860286 945575272 /nfs/dbraw/zinc/57/52/72/945575272.db2.gz JBGAFXZHJUNKBM-CYXIBPNKSA-N -1 1 271.280 1.982 20 50 CDGDMM O=C([O-])CCCCNC(=O)NN=c1[nH]cc(F)cc1F ZINC000840992785 979291744 /nfs/dbraw/zinc/29/17/44/979291744.db2.gz OOFGGXKGTIDSLV-UHFFFAOYSA-N -1 1 288.254 1.241 20 50 CDGDMM COc1cccc(=NNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[nH]1 ZINC001599680110 994966210 /nfs/dbraw/zinc/96/62/10/994966210.db2.gz ZXNMVYLTFNMQIF-VHSXEESVSA-N -1 1 293.323 1.424 20 50 CDGDMM C/C(C#N)=C/COc1cccc(F)c1-c1nnn[n-]1 ZINC001573558194 946936718 /nfs/dbraw/zinc/93/67/18/946936718.db2.gz FUGWVWSXPMWLON-YVMONPNESA-N -1 1 259.244 1.854 20 50 CDGDMM C/C(C#N)=C/COc1cccc(F)c1-c1nn[n-]n1 ZINC001573558194 946936724 /nfs/dbraw/zinc/93/67/24/946936724.db2.gz FUGWVWSXPMWLON-YVMONPNESA-N -1 1 259.244 1.854 20 50 CDGDMM COc1cccc(=NNC(=O)NC[C@@H](C(=O)[O-])C(C)C)[nH]1 ZINC001604870848 974118056 /nfs/dbraw/zinc/11/80/56/974118056.db2.gz FSEPBZZYDNJGBU-SECBINFHSA-N -1 1 296.327 1.073 20 50 CDGDMM CCN1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001596425268 984072190 /nfs/dbraw/zinc/07/21/90/984072190.db2.gz RYMCWOHBCXURJE-CYBMUJFWSA-N -1 1 291.351 1.702 20 50 CDGDMM O=C([O-])CCCC(=O)NN=c1ccc(Cl)c[nH]1 ZINC001595027922 951358493 /nfs/dbraw/zinc/35/84/93/951358493.db2.gz YMURWCUTDKTIBI-UHFFFAOYSA-N -1 1 257.677 1.433 20 50 CDGDMM CC(C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC000833464708 605773877 /nfs/dbraw/zinc/77/38/77/605773877.db2.gz BRWMLNZXJJXORE-GFCCVEGCSA-N -1 1 279.340 1.414 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)CCCC(=O)[O-] ZINC001592040056 976765142 /nfs/dbraw/zinc/76/51/42/976765142.db2.gz YMBOUBWTTLTXJW-UHFFFAOYSA-N -1 1 266.301 1.298 20 50 CDGDMM CCN(CC(=O)NNc1cccc(C(=O)[O-])c1)C1CC1 ZINC001596207253 983594894 /nfs/dbraw/zinc/59/48/94/983594894.db2.gz SDOAWEQPFDIKGB-UHFFFAOYSA-N -1 1 277.324 1.312 20 50 CDGDMM O=C(NNc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138263 945250091 /nfs/dbraw/zinc/25/00/91/945250091.db2.gz WVFNWTRIRVJMIN-UHFFFAOYSA-N -1 1 281.279 1.019 20 50 CDGDMM O=C(NNc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138263 945250096 /nfs/dbraw/zinc/25/00/96/945250096.db2.gz WVFNWTRIRVJMIN-UHFFFAOYSA-N -1 1 281.279 1.019 20 50 CDGDMM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819750601 945278799 /nfs/dbraw/zinc/27/87/99/945278799.db2.gz GXTZARHHOYUGNK-SOFGYWHQSA-N -1 1 271.236 1.096 20 50 CDGDMM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819750601 945278803 /nfs/dbraw/zinc/27/88/03/945278803.db2.gz GXTZARHHOYUGNK-SOFGYWHQSA-N -1 1 271.236 1.096 20 50 CDGDMM CC(C)CCC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820068555 945345508 /nfs/dbraw/zinc/34/55/08/945345508.db2.gz RWDPKMGFQWAZFT-UHFFFAOYSA-N -1 1 292.368 1.815 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(N)=C(C#N)C#N ZINC000822795689 946176622 /nfs/dbraw/zinc/17/66/22/946176622.db2.gz FUWYUDHZZJUYDG-XVNBXDOJSA-N -1 1 294.303 1.095 20 50 CDGDMM Cc1cc(NNC(=O)[C@H](CC(C)C)NC(=O)[O-])nc(C)n1 ZINC000738462696 978542199 /nfs/dbraw/zinc/54/21/99/978542199.db2.gz SKCXXRVEVAYVKG-JTQLQIEISA-N -1 1 295.343 1.219 20 50 CDGDMM CCN1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-] ZINC001596425269 984071832 /nfs/dbraw/zinc/07/18/32/984071832.db2.gz RYMCWOHBCXURJE-ZDUSSCGKSA-N -1 1 291.351 1.702 20 50 CDGDMM COc1ccc(=NNC(=O)NCCCCCC(=O)[O-])[nH]c1 ZINC001599597538 993768209 /nfs/dbraw/zinc/76/82/09/993768209.db2.gz XWAFEAFVYPIZEH-UHFFFAOYSA-N -1 1 296.327 1.361 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NNc1ccnc2ccccc21 ZINC001601561391 971016961 /nfs/dbraw/zinc/01/69/61/971016961.db2.gz DOOLHUFXSZNIDE-VHSXEESVSA-N -1 1 285.303 1.211 20 50 CDGDMM O=C([O-])[C@@H]1CN(C[C@@H](CBr)C2CC2)CCO1 ZINC001594954163 954972233 /nfs/dbraw/zinc/97/22/33/954972233.db2.gz WCZMGXXUYKXVIW-ZJUUUORDSA-N -1 1 292.173 1.193 20 50 CDGDMM CC(C)[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)N(C)C ZINC001591830847 976095485 /nfs/dbraw/zinc/09/54/85/976095485.db2.gz BQLRBADCQLXPMZ-LBPRGKRZSA-N -1 1 297.330 1.553 20 50 CDGDMM Cc1cc(CC(=O)NN=Cc2ccccc2C(=O)[O-])[nH]n1 ZINC000767396082 978737219 /nfs/dbraw/zinc/73/72/19/978737219.db2.gz LATZMUWVBGRLTD-UHFFFAOYSA-N -1 1 286.291 1.109 20 50 CDGDMM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)N(C)C ZINC001597282226 987353191 /nfs/dbraw/zinc/35/31/91/987353191.db2.gz GYZRFHSDNHTFQC-JTQLQIEISA-N -1 1 283.303 1.307 20 50 CDGDMM CC(C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)N(C)C ZINC001590958213 991046411 /nfs/dbraw/zinc/04/64/11/991046411.db2.gz SEMJPDOGUJQSLD-LBPRGKRZSA-N -1 1 297.330 1.553 20 50 CDGDMM CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820860289 945574069 /nfs/dbraw/zinc/57/40/69/945574069.db2.gz JBGAFXZHJUNKBM-WSQKDGNHSA-N -1 1 271.280 1.982 20 50 CDGDMM CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820860289 945574075 /nfs/dbraw/zinc/57/40/75/945574075.db2.gz JBGAFXZHJUNKBM-WSQKDGNHSA-N -1 1 271.280 1.982 20 50 CDGDMM O=C([O-])[C@@H]1CN(C[C@H](CBr)C2CC2)CCO1 ZINC001594954160 954971132 /nfs/dbraw/zinc/97/11/32/954971132.db2.gz WCZMGXXUYKXVIW-UWVGGRQHSA-N -1 1 292.173 1.193 20 50 CDGDMM CC(C)(C)[C@H](C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001588633236 959628824 /nfs/dbraw/zinc/62/88/24/959628824.db2.gz FQLLFTIRTNDFTQ-ZETCQYMHSA-N -1 1 286.719 1.320 20 50 CDGDMM CCN(CC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC001596207193 983593935 /nfs/dbraw/zinc/59/39/35/983593935.db2.gz QMQPLCAZANQKSO-UHFFFAOYSA-N -1 1 295.314 1.451 20 50 CDGDMM Cc1cc(NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nc(C)n1 ZINC000832898831 601211742 /nfs/dbraw/zinc/21/17/42/601211742.db2.gz UUZUZYRJZIIZGZ-QWRGUYRKSA-N -1 1 292.339 1.428 20 50 CDGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1n[nH]c2ccccc21 ZINC001595261670 949672588 /nfs/dbraw/zinc/67/25/88/949672588.db2.gz FWBAMZADPXNRRX-UHFFFAOYSA-N -1 1 297.274 1.413 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1ccc(C(=O)[O-])cc1F ZINC001591550985 992743800 /nfs/dbraw/zinc/74/38/00/992743800.db2.gz QDBYDCYOBYAACX-UHFFFAOYSA-N -1 1 283.303 1.307 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1ccccc1C(=O)[O-] ZINC000833496123 605282240 /nfs/dbraw/zinc/28/22/40/605282240.db2.gz SMKJALSGSZNJOB-UHFFFAOYSA-N -1 1 265.313 1.168 20 50 CDGDMM COc1cccc(NNC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820871269 955481921 /nfs/dbraw/zinc/48/19/21/955481921.db2.gz UUNYSGYWDRYZAV-UHFFFAOYSA-N -1 1 287.275 1.545 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833495884 605245513 /nfs/dbraw/zinc/24/55/13/605245513.db2.gz DEZCZAMXFKEBCC-UHFFFAOYSA-N -1 1 299.758 1.822 20 50 CDGDMM CC(C)CNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820093332 945350198 /nfs/dbraw/zinc/35/01/98/945350198.db2.gz WADIZFUWMWXBLN-UITAMQMPSA-N -1 1 286.295 1.139 20 50 CDGDMM CC(C)CNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820093332 945350210 /nfs/dbraw/zinc/35/02/10/945350210.db2.gz WADIZFUWMWXBLN-UITAMQMPSA-N -1 1 286.295 1.139 20 50 CDGDMM CCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821114526 945638471 /nfs/dbraw/zinc/63/84/71/945638471.db2.gz VWOMYBYAZJJGBJ-VURMDHGXSA-N -1 1 288.336 1.361 20 50 CDGDMM CN(C)C1(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CCCC1 ZINC001598178688 990736455 /nfs/dbraw/zinc/73/64/55/990736455.db2.gz PIRHRMOZTQBGRW-UHFFFAOYSA-N -1 1 292.339 1.097 20 50 CDGDMM Cc1cc(NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)nc(C)n1 ZINC001594325392 958164937 /nfs/dbraw/zinc/16/49/37/958164937.db2.gz VICXBJZWEZOAGD-CQSZACIVSA-N -1 1 290.323 1.348 20 50 CDGDMM CC(C)[C@@H](C(=O)[O-])C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001588807623 961482000 /nfs/dbraw/zinc/48/20/00/961482000.db2.gz CSEVHWAKZSTSEY-SECBINFHSA-N -1 1 271.704 1.535 20 50 CDGDMM CN1CCN(c2ccc(/C=C(\C#N)C(=O)[O-])cc2)CC1 ZINC000771518639 978743822 /nfs/dbraw/zinc/74/38/22/978743822.db2.gz AFOCDZWWKPGLIO-JLHYYAGUSA-N -1 1 271.320 1.430 20 50 CDGDMM C[C@H]1C(=NNC(=O)c2cc[nH]n2)CC[C@H]1CC(=O)[O-] ZINC000853391760 979605643 /nfs/dbraw/zinc/60/56/43/979605643.db2.gz XOCWRQJTJXTNAF-SFYZADRCSA-N -1 1 264.285 1.016 20 50 CDGDMM COc1cc(C(C)=NNC(=O)[O-])cc([N+](=O)[O-])c1O ZINC000829085569 604672229 /nfs/dbraw/zinc/67/22/29/604672229.db2.gz AWSYZDAULSNFMW-UHFFFAOYSA-N -1 1 269.213 1.301 20 50 CDGDMM CC(=NNC(=O)NC(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948508 608094549 /nfs/dbraw/zinc/09/45/49/608094549.db2.gz PUFCYMRNZRKOOZ-UHFFFAOYSA-N -1 1 293.356 1.360 20 50 CDGDMM COc1cccc(=NNC(=O)[C@H](C(=O)[O-])C2CCCC2)[nH]1 ZINC001594131752 958680949 /nfs/dbraw/zinc/68/09/49/958680949.db2.gz JQQLIKLXBZHSNI-GFCCVEGCSA-N -1 1 293.323 1.424 20 50 CDGDMM COc1cccc(=NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)[nH]1 ZINC001594131892 958683458 /nfs/dbraw/zinc/68/34/58/958683458.db2.gz TUVNEEYEQGUKOA-SNVBAGLBSA-N -1 1 281.312 1.280 20 50 CDGDMM CC(C)[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC000833464709 605732490 /nfs/dbraw/zinc/73/24/90/605732490.db2.gz BRWMLNZXJJXORE-LBPRGKRZSA-N -1 1 279.340 1.414 20 50 CDGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc(O)c(F)c1 ZINC001594781000 953628733 /nfs/dbraw/zinc/62/87/33/953628733.db2.gz BZLVHGYWBYBGDM-UHFFFAOYSA-N -1 1 291.238 1.381 20 50 CDGDMM CCCN(C)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001595834676 982733197 /nfs/dbraw/zinc/73/31/97/982733197.db2.gz ACGHNOSDODHRST-UHFFFAOYSA-N -1 1 283.303 1.309 20 50 CDGDMM CN(N=Cc1ccc(-c2nnn[n-]2)o1)C(=O)OC(C)(C)C ZINC000821619312 945748589 /nfs/dbraw/zinc/74/85/89/945748589.db2.gz QWRFICTWYDCLPW-UHFFFAOYSA-N -1 1 292.299 1.661 20 50 CDGDMM CN(N=Cc1ccc(-c2nn[n-]n2)o1)C(=O)OC(C)(C)C ZINC000821619312 945748595 /nfs/dbraw/zinc/74/85/95/945748595.db2.gz QWRFICTWYDCLPW-UHFFFAOYSA-N -1 1 292.299 1.661 20 50 CDGDMM Cc1cc(CC(=O)NN=Cc2cccc(C(=O)[O-])c2)[nH]n1 ZINC000814787679 955360804 /nfs/dbraw/zinc/36/08/04/955360804.db2.gz QTBBWLNPXHTWCL-UHFFFAOYSA-N -1 1 286.291 1.109 20 50 CDGDMM N#Cc1ccc(=NNC(=O)CCCCC(=O)[O-])[nH]c1 ZINC001594624167 956302415 /nfs/dbraw/zinc/30/24/15/956302415.db2.gz RYDHRMFFKWXOBY-UHFFFAOYSA-N -1 1 262.269 1.041 20 50 CDGDMM CCC[C@H](C(=O)NNc1ccccc1C(=O)[O-])N(C)C ZINC000833647922 605282570 /nfs/dbraw/zinc/28/25/70/605282570.db2.gz LQIVIGGENRFVGW-GFCCVEGCSA-N -1 1 279.340 1.558 20 50 CDGDMM CC(C)(C)CC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819907910 945311972 /nfs/dbraw/zinc/31/19/72/945311972.db2.gz SQVGZQFXNOMBQP-UHFFFAOYSA-N -1 1 292.368 1.815 20 50 CDGDMM C=C(CBr)CN(CCOC)CCC(=O)[O-] ZINC001602712134 971353264 /nfs/dbraw/zinc/35/32/64/971353264.db2.gz HHNHLRKHAYDYRP-UHFFFAOYSA-N -1 1 280.162 1.361 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)C1(CC(=O)[O-])CCC1 ZINC001588976077 962698764 /nfs/dbraw/zinc/69/87/64/962698764.db2.gz MMSOKZFTYZEHHH-UHFFFAOYSA-N -1 1 292.339 1.688 20 50 CDGDMM CCCCNC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821071537 945628331 /nfs/dbraw/zinc/62/83/31/945628331.db2.gz HPKGJGVZSCQZAJ-UHFFFAOYSA-N -1 1 293.356 1.361 20 50 CDGDMM C[C@@H](CNC(=O)NNc1ccc(Cl)cn1)C(=O)[O-] ZINC001589057076 955705599 /nfs/dbraw/zinc/70/55/99/955705599.db2.gz XQHAKCLGQZOISA-LURJTMIESA-N -1 1 272.692 1.082 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@H]1C(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001595181849 952253837 /nfs/dbraw/zinc/25/38/37/952253837.db2.gz DJUABPXRASANME-NXEZZACHSA-N -1 1 290.323 1.298 20 50 CDGDMM O=C([O-])[C@H](C(=O)NN=c1[nH]ccnc1C1CCC1)C1CC1 ZINC001594836258 954027767 /nfs/dbraw/zinc/02/77/67/954027767.db2.gz RPTNIYHRQOMLBD-JTQLQIEISA-N -1 1 290.323 1.298 20 50 CDGDMM C/C(C#N)=C\COc1cccc(F)c1-c1nnn[n-]1 ZINC001573558189 946935116 /nfs/dbraw/zinc/93/51/16/946935116.db2.gz FUGWVWSXPMWLON-VMPITWQZSA-N -1 1 259.244 1.854 20 50 CDGDMM C/C(C#N)=C\COc1cccc(F)c1-c1nn[n-]n1 ZINC001573558189 946935122 /nfs/dbraw/zinc/93/51/22/946935122.db2.gz FUGWVWSXPMWLON-VMPITWQZSA-N -1 1 259.244 1.854 20 50 CDGDMM CC(C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820132406 945359564 /nfs/dbraw/zinc/35/95/64/945359564.db2.gz JKKPIJBCTNEDLX-VMPITWQZSA-N -1 1 288.336 1.360 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)NC1CC1 ZINC000822795872 946179001 /nfs/dbraw/zinc/17/90/01/946179001.db2.gz ISQGICWSBAPZEU-FNORWQNLSA-N -1 1 286.320 1.114 20 50 CDGDMM O=C([O-])c1ccc(C=CC(=O)NNc2ncc(F)cn2)o1 ZINC001574514273 961838038 /nfs/dbraw/zinc/83/80/38/961838038.db2.gz YQXJNDOQJYNIRM-RQOWECAXSA-N -1 1 292.226 1.063 20 50 CDGDMM O=C([O-])c1ccc(C=CC(=O)NN=c2ncc(F)c[nH]2)o1 ZINC001574514273 961838054 /nfs/dbraw/zinc/83/80/54/961838054.db2.gz YQXJNDOQJYNIRM-RQOWECAXSA-N -1 1 292.226 1.063 20 50 CDGDMM CC(C)[C@H](C(=O)NNc1ccccc1C(=O)[O-])N(C)C ZINC001590958189 991046155 /nfs/dbraw/zinc/04/61/55/991046155.db2.gz RBDWQPQGJCRTEL-GFCCVEGCSA-N -1 1 279.340 1.414 20 50 CDGDMM CC(C)(C(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC001602836748 971662433 /nfs/dbraw/zinc/66/24/33/971662433.db2.gz JRRWGQVZIREMLR-UHFFFAOYSA-N -1 1 290.275 1.305 20 50 CDGDMM O=C([O-])NN=CC1(CN2CCOCC2)CCCCC1 ZINC000832745486 603496302 /nfs/dbraw/zinc/49/63/02/603496302.db2.gz XFYSRDMDHIODJH-UHFFFAOYSA-N -1 1 269.345 1.523 20 50 CDGDMM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)N(C)C ZINC000833636209 604648009 /nfs/dbraw/zinc/64/80/09/604648009.db2.gz LMIXWCMTDBMQJU-LLVKDONJSA-N -1 1 295.339 1.177 20 50 CDGDMM CC(C)[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N(C)C ZINC000833508409 605721690 /nfs/dbraw/zinc/72/16/90/605721690.db2.gz RBDWQPQGJCRTEL-LBPRGKRZSA-N -1 1 279.340 1.414 20 50 CDGDMM CC(C)(C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819898740 945309154 /nfs/dbraw/zinc/30/91/54/945309154.db2.gz ILZNZLUUPTXPOX-UHFFFAOYSA-N -1 1 278.341 1.424 20 50 CDGDMM CC(C)(C)OC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819939519 945316373 /nfs/dbraw/zinc/31/63/73/945316373.db2.gz FHIFFXLYYRBVFJ-UHFFFAOYSA-N -1 1 278.272 1.318 20 50 CDGDMM CC(C)(C)OC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819939519 945316381 /nfs/dbraw/zinc/31/63/81/945316381.db2.gz FHIFFXLYYRBVFJ-UHFFFAOYSA-N -1 1 278.272 1.318 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001588975823 962695805 /nfs/dbraw/zinc/69/58/05/962695805.db2.gz CUNINZILUNSFNW-ZJUUUORDSA-N -1 1 292.339 1.544 20 50 CDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C(C)(C)F)o1 ZINC000824352747 608533721 /nfs/dbraw/zinc/53/37/21/608533721.db2.gz LJCGMOYWWLPVPL-UHFFFAOYSA-N -1 1 297.294 1.169 20 50 CDGDMM O=C([O-])CCCC(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001595027668 951353544 /nfs/dbraw/zinc/35/35/44/951353544.db2.gz CKVAWIDNGKNRRK-UHFFFAOYSA-N -1 1 278.312 1.442 20 50 CDGDMM COCc1nc(N=CC(C#N)C#N)sc1C(=O)[O-] ZINC001599302999 997264585 /nfs/dbraw/zinc/26/45/85/997264585.db2.gz CLUUFHCZWGLOOV-UHFFFAOYSA-N -1 1 264.266 1.331 20 50 CDGDMM C=C(CCC(=O)[O-])C(=O)NN=c1[nH]ccnc1C(C)C ZINC001588630462 983743935 /nfs/dbraw/zinc/74/39/35/983743935.db2.gz MBNAETFSTHHSQV-UHFFFAOYSA-N -1 1 278.312 1.464 20 50 CDGDMM CCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825034809 608091601 /nfs/dbraw/zinc/09/16/01/608091601.db2.gz QTLSFULBQUYSGE-UHFFFAOYSA-N -1 1 264.314 1.178 20 50 CDGDMM CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821314224 945667829 /nfs/dbraw/zinc/66/78/29/945667829.db2.gz JKTCATJOFPJMLD-ALCCZGGFSA-N -1 1 275.293 1.398 20 50 CDGDMM CC(C)[C@@H](C(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC001602970413 971974248 /nfs/dbraw/zinc/97/42/48/971974248.db2.gz SPBPULARUGFIEC-CYBMUJFWSA-N -1 1 287.319 1.457 20 50 CDGDMM C[C@H](CC(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC000827303904 602298680 /nfs/dbraw/zinc/29/86/80/602298680.db2.gz LBTITJQKFGNTFG-SECBINFHSA-N -1 1 273.292 1.211 20 50 CDGDMM CC[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825051853 608094851 /nfs/dbraw/zinc/09/48/51/608094851.db2.gz SYTYPFGJPWOQEQ-SSDOTTSWSA-N -1 1 292.368 1.815 20 50 CDGDMM CC(C)CC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820051923 945338155 /nfs/dbraw/zinc/33/81/55/945338155.db2.gz XZEUQXTYBGNCJW-TWGQIWQCSA-N -1 1 271.280 1.982 20 50 CDGDMM CC(C)CC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820051923 945338160 /nfs/dbraw/zinc/33/81/60/945338160.db2.gz XZEUQXTYBGNCJW-TWGQIWQCSA-N -1 1 271.280 1.982 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC000823273378 946378627 /nfs/dbraw/zinc/37/86/27/946378627.db2.gz LGHDLBOXAJTCSE-UHFFFAOYSA-N -1 1 299.319 1.087 20 50 CDGDMM O=C([O-])[C@@H](C(=O)NN=c1[nH]ccnc1C1CCC1)C1CC1 ZINC001594836259 954027533 /nfs/dbraw/zinc/02/75/33/954027533.db2.gz RPTNIYHRQOMLBD-SNVBAGLBSA-N -1 1 290.323 1.298 20 50 CDGDMM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)N(C)C ZINC001597282256 987354473 /nfs/dbraw/zinc/35/44/73/987354473.db2.gz JDMIPRAJPKWOPT-NSHDSACASA-N -1 1 283.303 1.307 20 50 CDGDMM O=C([O-])[C@H]1CN(C[C@@H](CBr)C2CC2)CCO1 ZINC001594954158 954971861 /nfs/dbraw/zinc/97/18/61/954971861.db2.gz WCZMGXXUYKXVIW-NXEZZACHSA-N -1 1 292.173 1.193 20 50 CDGDMM C[C@H](CBr)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592210432 977253797 /nfs/dbraw/zinc/25/37/97/977253797.db2.gz CALZVOTXJSDPEC-HLTSFMKQSA-N -1 1 280.162 1.191 20 50 CDGDMM CC(C)(C)OC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819939490 945316771 /nfs/dbraw/zinc/31/67/71/945316771.db2.gz DGKCXNIAQZYKDC-UHFFFAOYSA-N -1 1 294.340 1.787 20 50 CDGDMM CCC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC000833647505 605730993 /nfs/dbraw/zinc/73/09/93/605730993.db2.gz FNOSJHQZIMPNOW-GFCCVEGCSA-N -1 1 279.340 1.558 20 50 CDGDMM CN(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736842999 944897347 /nfs/dbraw/zinc/89/73/47/944897347.db2.gz XNCOVEGWBXDUFF-UHFFFAOYSA-N -1 1 295.306 1.043 20 50 CDGDMM CN(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736842999 944897352 /nfs/dbraw/zinc/89/73/52/944897352.db2.gz XNCOVEGWBXDUFF-UHFFFAOYSA-N -1 1 295.306 1.043 20 50 CDGDMM COC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821637750 945764022 /nfs/dbraw/zinc/76/40/22/945764022.db2.gz RWQVKGLPZOYMDS-XQRVVYSFSA-N -1 1 261.266 1.008 20 50 CDGDMM C=C(CBr)CN[C@@H](C(=O)[O-])c1ccnn1C ZINC001588444869 958367416 /nfs/dbraw/zinc/36/74/16/958367416.db2.gz WOKLRQQIISWNKT-SECBINFHSA-N -1 1 288.145 1.087 20 50 CDGDMM CCN(CC)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001596260482 983674871 /nfs/dbraw/zinc/67/48/71/983674871.db2.gz XWJSGMTWTAZFME-UHFFFAOYSA-N -1 1 283.303 1.309 20 50 CDGDMM CC[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N(C)C ZINC001597314249 987436842 /nfs/dbraw/zinc/43/68/42/987436842.db2.gz HLCQPCMOBJXUFO-SNVBAGLBSA-N -1 1 283.303 1.307 20 50 CDGDMM CC=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820825921 945563348 /nfs/dbraw/zinc/56/33/48/945563348.db2.gz HEFYOAZOHPFVLC-FNORWQNLSA-N -1 1 291.315 1.387 20 50 CDGDMM O=C([O-])C1(C(=O)NN=c2ncc(F)c[nH]2)CCCCCC1 ZINC001594867301 954319295 /nfs/dbraw/zinc/31/92/95/954319295.db2.gz KQXBLMSREFRLPN-UHFFFAOYSA-N -1 1 296.302 1.484 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)CCSCC(=O)[O-] ZINC001592038894 976759204 /nfs/dbraw/zinc/75/92/04/976759204.db2.gz CVFFVYLTQVLCJU-UHFFFAOYSA-N -1 1 298.368 1.251 20 50 CDGDMM C[C@H](CC(=O)[O-])CC(=O)NNc1ccnc2ccccc21 ZINC001592391152 977935094 /nfs/dbraw/zinc/93/50/94/977935094.db2.gz DBZFDMOKZCUUPV-JTQLQIEISA-N -1 1 287.319 1.601 20 50 CDGDMM COC(=O)c1c(C)c(C(=O)[O-])sc1N=CC(C#N)C#N ZINC000737648118 978426695 /nfs/dbraw/zinc/42/66/95/978426695.db2.gz BOKVIWWSJKYVNC-UHFFFAOYSA-N -1 1 291.288 1.884 20 50 CDGDMM CCN(CC)CC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001596260349 983674118 /nfs/dbraw/zinc/67/41/18/983674118.db2.gz RDNHDHZOKHTFIY-UHFFFAOYSA-N -1 1 283.303 1.309 20 50 CDGDMM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819751146 945280853 /nfs/dbraw/zinc/28/08/53/945280853.db2.gz SAAFCHLTZSBLNT-SOFGYWHQSA-N -1 1 286.320 1.137 20 50 CDGDMM C[C@@H](C(=O)NN=c1ccc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573730346 948578717 /nfs/dbraw/zinc/57/87/17/948578717.db2.gz ORABLRZSRFPVAA-MRVPVSSYSA-N -1 1 299.294 1.102 20 50 CDGDMM O=C([O-])c1ccc(C=CC(=O)NNc2ncc(F)cn2)o1 ZINC001574514272 961837281 /nfs/dbraw/zinc/83/72/81/961837281.db2.gz YQXJNDOQJYNIRM-DUXPYHPUSA-N -1 1 292.226 1.063 20 50 CDGDMM O=C([O-])c1ccc(C=CC(=O)NN=c2ncc(F)c[nH]2)o1 ZINC001574514272 961837298 /nfs/dbraw/zinc/83/72/98/961837298.db2.gz YQXJNDOQJYNIRM-DUXPYHPUSA-N -1 1 292.226 1.063 20 50 CDGDMM CC(C)[C@H](C(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC001602970415 971971651 /nfs/dbraw/zinc/97/16/51/971971651.db2.gz SPBPULARUGFIEC-ZDUSSCGKSA-N -1 1 287.319 1.457 20 50 CDGDMM N#Cc1ccc(=NNC(=O)c2cccc(C(=O)[O-])c2)[nH]c1 ZINC001594623580 956296942 /nfs/dbraw/zinc/29/69/42/956296942.db2.gz BQAMMYNGLDKQMV-UHFFFAOYSA-N -1 1 282.259 1.408 20 50 CDGDMM CC[C@@H](C(=O)[O-])C(=O)NN=c1[nH]ccnc1C(C)C ZINC001594756000 981670775 /nfs/dbraw/zinc/67/07/75/981670775.db2.gz WNBQQYCJSXCEML-MRVPVSSYSA-N -1 1 266.301 1.154 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591551042 992743523 /nfs/dbraw/zinc/74/35/23/992743523.db2.gz SIPZVKOOZIFCCG-UHFFFAOYSA-N -1 1 283.303 1.307 20 50 CDGDMM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820137294 945361440 /nfs/dbraw/zinc/36/14/40/945361440.db2.gz IJPPYUIZYBRNHH-VMPITWQZSA-N -1 1 289.320 1.787 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001594781037 953628783 /nfs/dbraw/zinc/62/87/83/953628783.db2.gz DJUABPXRASANME-VHSXEESVSA-N -1 1 290.323 1.298 20 50 CDGDMM CC(C)[C@H](C(=O)[O-])C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001588807624 961482705 /nfs/dbraw/zinc/48/27/05/961482705.db2.gz CSEVHWAKZSTSEY-VIFPVBQESA-N -1 1 271.704 1.535 20 50 CDGDMM N#Cc1ccc(=NNC(=O)Nc2ccccc2C(=O)[O-])[nH]c1 ZINC001605613417 973932221 /nfs/dbraw/zinc/93/22/21/973932221.db2.gz ZXFYTMUCOAPYSI-UHFFFAOYSA-N -1 1 297.274 1.800 20 50 CDGDMM CC[C@H](C(=O)[O-])C(=O)NN=c1[nH]ccnc1C(C)C ZINC001594756004 981670633 /nfs/dbraw/zinc/67/06/33/981670633.db2.gz WNBQQYCJSXCEML-QMMMGPOBSA-N -1 1 266.301 1.154 20 50 CDGDMM CC(C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820012287 945329556 /nfs/dbraw/zinc/32/95/56/945329556.db2.gz XPABTUANAALBOK-UHFFFAOYSA-N -1 1 264.314 1.034 20 50 CDGDMM CC[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)N(CC)CC ZINC000833636447 604800855 /nfs/dbraw/zinc/80/08/55/604800855.db2.gz RTXRRNVPFAQXAT-LLVKDONJSA-N -1 1 294.355 1.343 20 50 CDGDMM Cc1cc(CC(=O)NN=C2CCC(C(=O)[O-])CC2)[nH]n1 ZINC000814788239 955360951 /nfs/dbraw/zinc/36/09/51/955360951.db2.gz JZACFOQBFOHGMZ-UHFFFAOYSA-N -1 1 278.312 1.008 20 50 CDGDMM CC[C@H](C(=O)NNc1ccc(CC(=O)[O-])cc1)N(C)C ZINC001594736798 987278717 /nfs/dbraw/zinc/27/87/17/987278717.db2.gz OLRZIRXUFITKHH-GFCCVEGCSA-N -1 1 279.340 1.097 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@H](NC(=O)NNc2ccc(Cl)cn2)C1 ZINC001594780507 953626076 /nfs/dbraw/zinc/62/60/76/953626076.db2.gz TVBRKOCMRLRNHI-APPZFPTMSA-N -1 1 298.730 1.614 20 50 CDGDMM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1C)N(C)C ZINC001597282433 987355790 /nfs/dbraw/zinc/35/57/90/987355790.db2.gz QZDVYUBQGDXWRJ-LBPRGKRZSA-N -1 1 279.340 1.477 20 50 CDGDMM CC(=NNC(=O)C(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948003 608093111 /nfs/dbraw/zinc/09/31/11/608093111.db2.gz BIFJPUGRNDAKNZ-UHFFFAOYSA-N -1 1 278.341 1.424 20 50 CDGDMM CC(C)NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820132407 945361401 /nfs/dbraw/zinc/36/14/01/945361401.db2.gz JKKPIJBCTNEDLX-YVMONPNESA-N -1 1 288.336 1.360 20 50 CDGDMM O=C(NNc1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000826449091 609263640 /nfs/dbraw/zinc/26/36/40/609263640.db2.gz BBFPZCULSZGMOW-UHFFFAOYSA-N -1 1 287.308 1.080 20 50 CDGDMM O=C(NNc1ccccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000826449091 609263641 /nfs/dbraw/zinc/26/36/41/609263641.db2.gz BBFPZCULSZGMOW-UHFFFAOYSA-N -1 1 287.308 1.080 20 50 CDGDMM CC(C)(C)CC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819907489 945311714 /nfs/dbraw/zinc/31/17/14/945311714.db2.gz OXLGNZOQGOFTEO-UHFFFAOYSA-N -1 1 276.300 1.346 20 50 CDGDMM CC(C)(C)CC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819907489 945311721 /nfs/dbraw/zinc/31/17/21/945311721.db2.gz OXLGNZOQGOFTEO-UHFFFAOYSA-N -1 1 276.300 1.346 20 50 CDGDMM C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000827304659 602189339 /nfs/dbraw/zinc/18/93/39/602189339.db2.gz YXDNCQAMCMTIMK-MRVPVSSYSA-N -1 1 290.275 1.305 20 50 CDGDMM COC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821637749 945763727 /nfs/dbraw/zinc/76/37/27/945763727.db2.gz RWQVKGLPZOYMDS-GQCTYLIASA-N -1 1 261.266 1.008 20 50 CDGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)NC1CCCC1 ZINC000822796447 946185989 /nfs/dbraw/zinc/18/59/89/946185989.db2.gz RKQLUIMTQKHFSV-VQHVLOKHSA-N -1 1 298.306 1.425 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)NC1CCCC1 ZINC000822796447 946185994 /nfs/dbraw/zinc/18/59/94/946185994.db2.gz RKQLUIMTQKHFSV-VQHVLOKHSA-N -1 1 298.306 1.425 20 50 CDGDMM Cc1cc(NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)nc(C)n1 ZINC001594325391 958165254 /nfs/dbraw/zinc/16/52/54/958165254.db2.gz VICXBJZWEZOAGD-AWEZNQCLSA-N -1 1 290.323 1.348 20 50 CDGDMM COc1cccc(=NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001604871555 974120546 /nfs/dbraw/zinc/12/05/46/974120546.db2.gz WLBDZCANDHQRHU-DTWKUNHWSA-N -1 1 279.296 1.034 20 50 CDGDMM O=C(CC1CCCC1)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822940723 946224657 /nfs/dbraw/zinc/22/46/57/946224657.db2.gz BSLXOEASIGGTSH-UHFFFAOYSA-N -1 1 288.311 1.490 20 50 CDGDMM O=C(CC1CCCC1)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822940723 946224665 /nfs/dbraw/zinc/22/46/65/946224665.db2.gz BSLXOEASIGGTSH-UHFFFAOYSA-N -1 1 288.311 1.490 20 50 CDGDMM Cc1cc(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nc(C)n1 ZINC000832898833 601211621 /nfs/dbraw/zinc/21/16/21/601211621.db2.gz UUZUZYRJZIIZGZ-WDEREUQCSA-N -1 1 292.339 1.428 20 50 CDGDMM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821071356 945627558 /nfs/dbraw/zinc/62/75/58/945627558.db2.gz BRLRKKSGJBIKGR-VQHVLOKHSA-N -1 1 287.279 1.710 20 50 CDGDMM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821071356 945627563 /nfs/dbraw/zinc/62/75/63/945627563.db2.gz BRLRKKSGJBIKGR-VQHVLOKHSA-N -1 1 287.279 1.710 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccc[nH]1 ZINC000823272968 946369694 /nfs/dbraw/zinc/36/96/94/946369694.db2.gz ASKHBGMWNNHJQY-UHFFFAOYSA-N -1 1 287.308 1.020 20 50 CDGDMM CC=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820825920 945562622 /nfs/dbraw/zinc/56/26/22/945562622.db2.gz HEFYOAZOHPFVLC-ALCCZGGFSA-N -1 1 291.315 1.387 20 50 CDGDMM C/C(C#N)=C\COc1ccc(F)nc1-c1nn[n-]n1 ZINC001573557901 946931925 /nfs/dbraw/zinc/93/19/25/946931925.db2.gz AIRVXBPEFPTKKN-QPJJXVBHSA-N -1 1 260.232 1.249 20 50 CDGDMM CN(CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCC1 ZINC001598396391 991656855 /nfs/dbraw/zinc/65/68/55/991656855.db2.gz GFCHQXSMGDKUEG-UHFFFAOYSA-N -1 1 295.314 1.451 20 50 CDGDMM CC(C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820004978 945326064 /nfs/dbraw/zinc/32/60/64/945326064.db2.gz HBWSXUUTIBQFKH-YVMONPNESA-N -1 1 257.253 1.592 20 50 CDGDMM CC(C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820004978 945326075 /nfs/dbraw/zinc/32/60/75/945326075.db2.gz HBWSXUUTIBQFKH-YVMONPNESA-N -1 1 257.253 1.592 20 50 CDGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)C1CCC1 ZINC000822796807 946190561 /nfs/dbraw/zinc/19/05/61/946190561.db2.gz ZHXLKCZQGZJNQA-TWGQIWQCSA-N -1 1 269.264 1.736 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)C1CCC1 ZINC000822796807 946190569 /nfs/dbraw/zinc/19/05/69/946190569.db2.gz ZHXLKCZQGZJNQA-TWGQIWQCSA-N -1 1 269.264 1.736 20 50 CDGDMM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833636644 605247803 /nfs/dbraw/zinc/24/78/03/605247803.db2.gz YNLAGZXQXRHZBP-LLVKDONJSA-N -1 1 299.758 1.822 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC000823273196 946375978 /nfs/dbraw/zinc/37/59/78/946375978.db2.gz HQIHESANQSYASN-UHFFFAOYSA-N -1 1 299.319 1.087 20 50 CDGDMM CC(C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820004977 945326963 /nfs/dbraw/zinc/32/69/63/945326963.db2.gz HBWSXUUTIBQFKH-VMPITWQZSA-N -1 1 257.253 1.592 20 50 CDGDMM CC(C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820004977 945326975 /nfs/dbraw/zinc/32/69/75/945326975.db2.gz HBWSXUUTIBQFKH-VMPITWQZSA-N -1 1 257.253 1.592 20 50 CDGDMM O=C([O-])CCC(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001594996861 951089977 /nfs/dbraw/zinc/08/99/77/951089977.db2.gz RFPPYINTXWNMKX-UHFFFAOYSA-N -1 1 277.202 1.408 20 50 CDGDMM CC(C)(C(=O)[O-])C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001588618608 959532728 /nfs/dbraw/zinc/53/27/28/959532728.db2.gz ZEARFKQUCKJSBJ-UHFFFAOYSA-N -1 1 257.677 1.289 20 50 CDGDMM COc1cccc(=NNC(=O)NC[C@H](C(=O)[O-])C(C)C)[nH]1 ZINC001604870849 974118669 /nfs/dbraw/zinc/11/86/69/974118669.db2.gz FSEPBZZYDNJGBU-VIFPVBQESA-N -1 1 296.327 1.073 20 50 CDGDMM CN(CC(=O)NNc1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC000828115081 601799112 /nfs/dbraw/zinc/79/91/12/601799112.db2.gz PSFWEXHHMUAYIE-UHFFFAOYSA-N -1 1 298.246 1.215 20 50 CDGDMM N#CC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826380596 609166143 /nfs/dbraw/zinc/16/61/43/609166143.db2.gz GYILBYVZSLSSNK-UHFFFAOYSA-N -1 1 286.320 1.224 20 50 CDGDMM N#CC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826380596 609166144 /nfs/dbraw/zinc/16/61/44/609166144.db2.gz GYILBYVZSLSSNK-UHFFFAOYSA-N -1 1 286.320 1.224 20 50 CDGDMM C[C@@H](C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001588575832 959227369 /nfs/dbraw/zinc/22/73/69/959227369.db2.gz LEQJTVSRXRXCIV-SCSAIBSYSA-N -1 1 278.095 1.552 20 50 CDGDMM C[C@@H]1C(=NNC(=O)c2cc[nH]n2)CC[C@H]1CC(=O)[O-] ZINC000853391762 979605923 /nfs/dbraw/zinc/60/59/23/979605923.db2.gz XOCWRQJTJXTNAF-YUMQZZPRSA-N -1 1 264.285 1.016 20 50 CDGDMM CC[C@H](C(=O)NNc1ccccc1C(=O)[O-])N(C)C ZINC000833636567 605724933 /nfs/dbraw/zinc/72/49/33/605724933.db2.gz WJRDPULTBVHJPM-LLVKDONJSA-N -1 1 265.313 1.168 20 50 CDGDMM CC(C)CCC(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820067130 945342850 /nfs/dbraw/zinc/34/28/50/945342850.db2.gz DILCNHAYSWBGOS-UHFFFAOYSA-N -1 1 276.300 1.346 20 50 CDGDMM CC(C)CCC(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820067130 945342859 /nfs/dbraw/zinc/34/28/59/945342859.db2.gz DILCNHAYSWBGOS-UHFFFAOYSA-N -1 1 276.300 1.346 20 50 CDGDMM O=C([O-])C1(C(=O)NN=c2ccc(Cl)c[nH]2)CC1 ZINC001605935205 972870965 /nfs/dbraw/zinc/87/09/65/972870965.db2.gz CMVQHOPXSYHIID-UHFFFAOYSA-N -1 1 255.661 1.043 20 50 CDGDMM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819751193 945281594 /nfs/dbraw/zinc/28/15/94/945281594.db2.gz SLTPUVAADPPXQH-VURMDHGXSA-N -1 1 287.304 1.564 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)NC1CCCC1 ZINC000823273394 946380550 /nfs/dbraw/zinc/38/05/50/946380550.db2.gz LUILZEHUQFUKBM-UHFFFAOYSA-N -1 1 289.299 1.035 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)NC1CCCC1 ZINC000823273394 946380561 /nfs/dbraw/zinc/38/05/61/946380561.db2.gz LUILZEHUQFUKBM-UHFFFAOYSA-N -1 1 289.299 1.035 20 50 CDGDMM Cc1cc(C(=O)[O-])cc(C(=O)NNc2ncc(F)cn2)c1 ZINC001594288195 957794171 /nfs/dbraw/zinc/79/41/71/957794171.db2.gz CYLOECYNVSWUKW-UHFFFAOYSA-N -1 1 290.254 1.379 20 50 CDGDMM Cc1cc(C(=O)[O-])cc(C(=O)NN=c2ncc(F)c[nH]2)c1 ZINC001594288195 957794178 /nfs/dbraw/zinc/79/41/78/957794178.db2.gz CYLOECYNVSWUKW-UHFFFAOYSA-N -1 1 290.254 1.379 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC000823273835 946391392 /nfs/dbraw/zinc/39/13/92/946391392.db2.gz ZZUJMPDLPWXJAD-UHFFFAOYSA-N -1 1 276.325 1.178 20 50 CDGDMM O=C([O-])C1(C(=O)NN=c2[nH]cncc2Cl)CCCCC1 ZINC001594867696 954321695 /nfs/dbraw/zinc/32/16/95/954321695.db2.gz QTUBPPBDIMOHLP-UHFFFAOYSA-N -1 1 298.730 1.608 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccncc1 ZINC000823273809 946391966 /nfs/dbraw/zinc/39/19/66/946391966.db2.gz YWPWPMNDSLNDPJ-UHFFFAOYSA-N -1 1 299.319 1.087 20 50 CDGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cn[nH]c1C1CC1 ZINC001595261692 949673250 /nfs/dbraw/zinc/67/32/50/949673250.db2.gz GUBLFSJEDCKZDX-UHFFFAOYSA-N -1 1 287.279 1.137 20 50 CDGDMM O=C([O-])C1(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1 ZINC001594864571 954310916 /nfs/dbraw/zinc/31/09/16/954310916.db2.gz HSINCTFVCHYQMY-UHFFFAOYSA-N -1 1 289.213 1.408 20 50 CDGDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NN=c1ccc(C#N)c[nH]1 ZINC001599957060 985705819 /nfs/dbraw/zinc/70/58/19/985705819.db2.gz BGSDCJUTQPBWMK-UHFFFAOYSA-N -1 1 299.290 1.353 20 50 CDGDMM CC[C@H](C)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825051854 608094566 /nfs/dbraw/zinc/09/45/66/608094566.db2.gz SYTYPFGJPWOQEQ-ZETCQYMHSA-N -1 1 292.368 1.815 20 50 CDGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC000822795978 946178975 /nfs/dbraw/zinc/17/89/75/946178975.db2.gz JOXXAJAVFPEFTM-VQHVLOKHSA-N -1 1 264.248 1.919 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC000822795978 946178985 /nfs/dbraw/zinc/17/89/85/946178985.db2.gz JOXXAJAVFPEFTM-VQHVLOKHSA-N -1 1 264.248 1.919 20 50 CDGDMM CCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821114525 945637673 /nfs/dbraw/zinc/63/76/73/945637673.db2.gz VWOMYBYAZJJGBJ-SOFGYWHQSA-N -1 1 288.336 1.361 20 50 CDGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)NC1CCCC1 ZINC000822796446 946185266 /nfs/dbraw/zinc/18/52/66/946185266.db2.gz RKQLUIMTQKHFSV-CLFYSBASSA-N -1 1 298.306 1.425 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)NC1CCCC1 ZINC000822796446 946185278 /nfs/dbraw/zinc/18/52/78/946185278.db2.gz RKQLUIMTQKHFSV-CLFYSBASSA-N -1 1 298.306 1.425 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccoc1 ZINC000823273717 946386734 /nfs/dbraw/zinc/38/67/34/946386734.db2.gz UZNKVQIEHHPMOE-UHFFFAOYSA-N -1 1 288.292 1.285 20 50 CDGDMM CCN1CCCC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603760262 974203084 /nfs/dbraw/zinc/20/30/84/974203084.db2.gz IXPASBUFEZITDB-LLVKDONJSA-N -1 1 292.339 1.097 20 50 CDGDMM C[C@@H](CC(=O)[O-])CC(=O)NNc1ccnc2ccccc21 ZINC001592391153 977935340 /nfs/dbraw/zinc/93/53/40/977935340.db2.gz DBZFDMOKZCUUPV-SNVBAGLBSA-N -1 1 287.319 1.601 20 50 CDGDMM CCN(CC(=O)NNc1cccc(F)c1C(=O)[O-])C1CC1 ZINC001596206519 983592882 /nfs/dbraw/zinc/59/28/82/983592882.db2.gz FQCGRTLEAZSLHY-UHFFFAOYSA-N -1 1 295.314 1.451 20 50 CDGDMM CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)N(C)C ZINC001597314536 987437798 /nfs/dbraw/zinc/43/77/98/987437798.db2.gz QZDVYUBQGDXWRJ-GFCCVEGCSA-N -1 1 279.340 1.477 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NNc2ccnc3ccccc32)C1 ZINC001601561551 971016548 /nfs/dbraw/zinc/01/65/48/971016548.db2.gz OAYVAIOGSYCFFJ-WDEREUQCSA-N -1 1 299.330 1.601 20 50 CDGDMM CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820860287 945574342 /nfs/dbraw/zinc/57/43/42/945574342.db2.gz JBGAFXZHJUNKBM-GTUWVTDSSA-N -1 1 271.280 1.982 20 50 CDGDMM CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820860287 945574351 /nfs/dbraw/zinc/57/43/51/945574351.db2.gz JBGAFXZHJUNKBM-GTUWVTDSSA-N -1 1 271.280 1.982 20 50 CDGDMM CCOC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821334316 945671959 /nfs/dbraw/zinc/67/19/59/945671959.db2.gz MBSGAHBEXOGBDB-UHFFFAOYSA-N -1 1 266.286 1.008 20 50 CDGDMM CCN1CCCC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001603760263 974203192 /nfs/dbraw/zinc/20/31/92/974203192.db2.gz IXPASBUFEZITDB-NSHDSACASA-N -1 1 292.339 1.097 20 50 CDGDMM Cc1cc(=NNC(=O)c2ccc(C(=O)[O-])cc2)[nH]cn1 ZINC000738462716 955241710 /nfs/dbraw/zinc/24/17/10/955241710.db2.gz UKOIHGCFUUMNRC-UHFFFAOYSA-N -1 1 272.264 1.240 20 50 CDGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC001605023035 972631722 /nfs/dbraw/zinc/63/17/22/972631722.db2.gz IWIRJYLHPVIFPU-PSLIRLAXSA-N -1 1 285.303 1.211 20 50 CDGDMM C[C@@H]1CCN(CC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC001594415125 999553545 /nfs/dbraw/zinc/55/35/45/999553545.db2.gz WLOSZGPNBOMSMR-SNVBAGLBSA-N -1 1 277.324 1.170 20 50 CDGDMM CC[C@@H](C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820859811 945573064 /nfs/dbraw/zinc/57/30/64/945573064.db2.gz GRACDMFCOKNFJI-SSDOTTSWSA-N -1 1 278.341 1.424 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592038892 976759611 /nfs/dbraw/zinc/75/96/11/976759611.db2.gz CUNINZILUNSFNW-VHSXEESVSA-N -1 1 292.339 1.544 20 50 CDGDMM Cc1cc(NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nc(C)n1 ZINC000832898830 601211701 /nfs/dbraw/zinc/21/17/01/601211701.db2.gz UUZUZYRJZIIZGZ-MNOVXSKESA-N -1 1 292.339 1.428 20 50 CDGDMM CC(=NNC(=O)C(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823948530 609450169 /nfs/dbraw/zinc/45/01/69/609450169.db2.gz QRWLQSKZMDZUSA-UHFFFAOYSA-N -1 1 286.267 1.034 20 50 CDGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc(F)c1O ZINC001595261745 949674183 /nfs/dbraw/zinc/67/41/83/949674183.db2.gz IKKMCYKMVLQEMB-UHFFFAOYSA-N -1 1 291.238 1.381 20 50 CDGDMM CC(C)[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N(C)C ZINC001591831314 976099134 /nfs/dbraw/zinc/09/91/34/976099134.db2.gz MGYGLTQFGMJUTQ-LBPRGKRZSA-N -1 1 297.330 1.553 20 50 CDGDMM N#Cc1ccc(=NNC(=O)Nc2cccc(C(=O)[O-])c2)[nH]c1 ZINC001574790917 983276172 /nfs/dbraw/zinc/27/61/72/983276172.db2.gz IQWBGIIRJVUNDA-UHFFFAOYSA-N -1 1 297.274 1.800 20 50 CDGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)C(=O)C1CCC1 ZINC000822796806 946189988 /nfs/dbraw/zinc/18/99/88/946189988.db2.gz ZHXLKCZQGZJNQA-RMKNXTFCSA-N -1 1 269.264 1.736 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)C(=O)C1CCC1 ZINC000822796806 946189993 /nfs/dbraw/zinc/18/99/93/946189993.db2.gz ZHXLKCZQGZJNQA-RMKNXTFCSA-N -1 1 269.264 1.736 20 50 CDGDMM CC(CC(C)(C)CC(=O)[O-])=NNC(=O)Cc1cc(C)n[nH]1 ZINC001592444195 978100849 /nfs/dbraw/zinc/10/08/49/978100849.db2.gz LMVVHTNFEXXWPT-UHFFFAOYSA-N -1 1 294.355 1.644 20 50 CDGDMM CC(C)[C@H](C(=O)NNc1cccc(C(=O)[O-])c1F)N(C)C ZINC001590958212 991045790 /nfs/dbraw/zinc/04/57/90/991045790.db2.gz SEMJPDOGUJQSLD-GFCCVEGCSA-N -1 1 297.330 1.553 20 50 CDGDMM Cc1ccccc1C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822345640 946060262 /nfs/dbraw/zinc/06/02/62/946060262.db2.gz NTKKPEVDJADIKH-UHFFFAOYSA-N -1 1 296.290 1.532 20 50 CDGDMM Cc1ccccc1C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822345640 946060276 /nfs/dbraw/zinc/06/02/76/946060276.db2.gz NTKKPEVDJADIKH-UHFFFAOYSA-N -1 1 296.290 1.532 20 50 CDGDMM O=C([O-])NCCC(=O)NNc1nc(C(F)(F)F)cs1 ZINC000832599161 603483142 /nfs/dbraw/zinc/48/31/42/603483142.db2.gz DMDAFQBPOSCFAZ-UHFFFAOYSA-N -1 1 298.246 1.263 20 50 CDGDMM CC(=NNC(=O)C1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948782 608094500 /nfs/dbraw/zinc/09/45/00/608094500.db2.gz XUPQZCGTJMHUEX-UHFFFAOYSA-N -1 1 290.352 1.569 20 50 CDGDMM C[C@H](CNC(=O)NNc1ccc(Cl)cn1)C(=O)[O-] ZINC001589057077 955705681 /nfs/dbraw/zinc/70/56/81/955705681.db2.gz XQHAKCLGQZOISA-ZCFIWIBFSA-N -1 1 272.692 1.082 20 50 CDGDMM N#Cc1ccc(C(=O)NN=c2[nH]cccc2C(=O)[O-])cc1O ZINC001574485029 961673291 /nfs/dbraw/zinc/67/32/91/961673291.db2.gz AJQGBKXUCITQPU-UHFFFAOYSA-N -1 1 298.258 1.114 20 50 CDGDMM COc1cccc(NNC(=O)NCCCCCC(=O)[O-])n1 ZINC001599679900 994962330 /nfs/dbraw/zinc/96/23/30/994962330.db2.gz NQUWWVITJRBTIT-UHFFFAOYSA-N -1 1 296.327 1.361 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000823273020 946371674 /nfs/dbraw/zinc/37/16/74/946371674.db2.gz BMNOWZISXDIACV-UHFFFAOYSA-N -1 1 282.263 1.224 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000823273020 946371687 /nfs/dbraw/zinc/37/16/87/946371687.db2.gz BMNOWZISXDIACV-UHFFFAOYSA-N -1 1 282.263 1.224 20 50 CDGDMM O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc2cn[nH]c21 ZINC001595261466 949670209 /nfs/dbraw/zinc/67/02/09/949670209.db2.gz BWOBHXHRHKANCK-UHFFFAOYSA-N -1 1 297.274 1.413 20 50 CDGDMM O=C([O-])CCCC=NNC(=O)c1[nH]nc2c1CCCC2 ZINC001595031552 951371933 /nfs/dbraw/zinc/37/19/33/951371933.db2.gz PXONMUMBLBRHRT-UHFFFAOYSA-N -1 1 278.312 1.259 20 50 CDGDMM C/C(C#N)=C/COc1ccc(F)nc1-c1nn[n-]n1 ZINC001573557900 946931233 /nfs/dbraw/zinc/93/12/33/946931233.db2.gz AIRVXBPEFPTKKN-DAXSKMNVSA-N -1 1 260.232 1.249 20 50 CDGDMM COc1cccc(NNC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820870892 955480980 /nfs/dbraw/zinc/48/09/80/955480980.db2.gz GYRNKCZRYXVWBO-UHFFFAOYSA-N -1 1 287.275 1.545 20 50 CDGDMM C=C(CBr)CN[C@H](C(=O)[O-])c1ccnn1C ZINC001588444870 958367758 /nfs/dbraw/zinc/36/77/58/958367758.db2.gz WOKLRQQIISWNKT-VIFPVBQESA-N -1 1 288.145 1.087 20 50 CDGDMM Cc1n[nH]c(C(=O)NNc2ccc(C(=O)[O-])cc2F)c1C ZINC001599967069 985925622 /nfs/dbraw/zinc/92/56/22/985925622.db2.gz BFNJVMFSQUZXNH-UHFFFAOYSA-N -1 1 292.270 1.621 20 50 CDGDMM Cc1ccccc1NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737434372 945064327 /nfs/dbraw/zinc/06/43/27/945064327.db2.gz FIPVWYWKQCFEOM-UHFFFAOYSA-N -1 1 295.306 1.327 20 50 CDGDMM Cc1ccccc1NNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737434372 945064337 /nfs/dbraw/zinc/06/43/37/945064337.db2.gz FIPVWYWKQCFEOM-UHFFFAOYSA-N -1 1 295.306 1.327 20 50 CDGDMM CCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821065778 945627579 /nfs/dbraw/zinc/62/75/79/945627579.db2.gz MZTHFTJNPILAEZ-CLFYSBASSA-N -1 1 286.295 1.283 20 50 CDGDMM CCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821065778 945627583 /nfs/dbraw/zinc/62/75/83/945627583.db2.gz MZTHFTJNPILAEZ-CLFYSBASSA-N -1 1 286.295 1.283 20 50 CDGDMM CC1(C)C[C@]1(C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001589220255 956766765 /nfs/dbraw/zinc/76/67/65/956766765.db2.gz ZSSNTGQBMBUQQO-LLVKDONJSA-N -1 1 284.703 1.074 20 50 CDGDMM C[C@@H]1CN(Cc2ccccn2)CCC1=NNC(=O)[O-] ZINC000736814072 978358386 /nfs/dbraw/zinc/35/83/86/978358386.db2.gz HUVAGNHCBGDLST-SNVBAGLBSA-N -1 1 262.313 1.547 20 50 CDGDMM CN1CCN(c2ccc(/C=C(/C#N)C(=O)[O-])cc2)CC1 ZINC000771518641 978743954 /nfs/dbraw/zinc/74/39/54/978743954.db2.gz AFOCDZWWKPGLIO-RAXLEYEMSA-N -1 1 271.320 1.430 20 50 CDGDMM C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1cc2ccccc2o1 ZINC000827304660 602189317 /nfs/dbraw/zinc/18/93/17/602189317.db2.gz YXDNCQAMCMTIMK-QMMMGPOBSA-N -1 1 290.275 1.305 20 50 CDGDMM Cc1[nH]c(C(=O)NN=c2ncc(F)c[nH]2)c(C)c1C(=O)[O-] ZINC000833739997 604925742 /nfs/dbraw/zinc/92/57/42/604925742.db2.gz LJZXZXRPRYDQMH-UHFFFAOYSA-N -1 1 293.258 1.016 20 50 CDGDMM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820137363 945359195 /nfs/dbraw/zinc/35/91/95/945359195.db2.gz JVLWMRFCCFXFHF-VMPITWQZSA-N -1 1 273.252 1.318 20 50 CDGDMM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820137363 945359210 /nfs/dbraw/zinc/35/92/10/945359210.db2.gz JVLWMRFCCFXFHF-VMPITWQZSA-N -1 1 273.252 1.318 20 50 CDGDMM C=CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000735408364 944647377 /nfs/dbraw/zinc/64/73/77/944647377.db2.gz JZZGPHPZFOGYSQ-UHFFFAOYSA-N -1 1 291.315 1.387 20 50 CDGDMM CCCN(C)CC(=O)NNc1ccc(C)c(C(=O)[O-])c1 ZINC001595835840 982740431 /nfs/dbraw/zinc/74/04/31/982740431.db2.gz VCXOMVQBDRYUHT-UHFFFAOYSA-N -1 1 279.340 1.478 20 50 CDGDMM C=C(CBr)CN1CCSC[C@@H]1CC(=O)[O-] ZINC001588605250 983691789 /nfs/dbraw/zinc/69/17/89/983691789.db2.gz FJKCVRJGCKBIJH-VIFPVBQESA-N -1 1 294.214 1.830 20 50 CDGDMM CC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N(C)C ZINC000833636568 605724513 /nfs/dbraw/zinc/72/45/13/605724513.db2.gz WJRDPULTBVHJPM-NSHDSACASA-N -1 1 265.313 1.168 20 50 CDGDMM COc1cccc(=NNC(=O)[C@]2(C(=O)[O-])CC2(C)C)[nH]1 ZINC001594131845 958684439 /nfs/dbraw/zinc/68/44/39/958684439.db2.gz QLAJIYIYUQDWDU-ZDUSSCGKSA-N -1 1 279.296 1.034 20 50 CDGDMM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)N(C)C ZINC001597314261 987437040 /nfs/dbraw/zinc/43/70/40/987437040.db2.gz JDMIPRAJPKWOPT-LLVKDONJSA-N -1 1 283.303 1.307 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(=O)NC1CC1 ZINC000822795870 946178910 /nfs/dbraw/zinc/17/89/10/946178910.db2.gz ISQGICWSBAPZEU-ALCCZGGFSA-N -1 1 286.320 1.114 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000823273493 946382786 /nfs/dbraw/zinc/38/27/86/946382786.db2.gz PHGZMPMPPWDWOA-UHFFFAOYSA-N -1 1 298.331 1.692 20 50 CDGDMM O=C([O-])CCC(=O)NN=c1cccc(Br)[nH]1 ZINC001594996898 951089935 /nfs/dbraw/zinc/08/99/35/951089935.db2.gz VILIKFJCGQSONT-UHFFFAOYSA-N -1 1 288.101 1.152 20 50 CDGDMM O=C(NNc1ccc(Cl)cn1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594780098 953622123 /nfs/dbraw/zinc/62/21/23/953622123.db2.gz IJBUDIZEURFJNI-WRXNHJIOSA-N -1 1 284.703 1.224 20 50 CDGDMM O=C(NNc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738137912 945247959 /nfs/dbraw/zinc/24/79/59/945247959.db2.gz VCAXWGXZYQZCKP-UHFFFAOYSA-N -1 1 299.269 1.158 20 50 CDGDMM O=C(NNc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738137912 945247966 /nfs/dbraw/zinc/24/79/66/945247966.db2.gz VCAXWGXZYQZCKP-UHFFFAOYSA-N -1 1 299.269 1.158 20 50 CDGDMM CCN(CC(=O)NNc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC001596206464 983592243 /nfs/dbraw/zinc/59/22/43/983592243.db2.gz BPMMLAMZCQQYBJ-UHFFFAOYSA-N -1 1 291.351 1.241 20 50 CDGDMM CC[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)N(C)C ZINC001597282580 987357107 /nfs/dbraw/zinc/35/71/07/987357107.db2.gz YPKTVSZOILOMQW-NSHDSACASA-N -1 1 283.303 1.307 20 50 CDGDMM COc1cccc(NNC(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001599679746 994959280 /nfs/dbraw/zinc/95/92/80/994959280.db2.gz FSPRESVCARKCPT-UHFFFAOYSA-N -1 1 277.236 1.138 20 50 CDGDMM C[C@H]1CCN(CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001594414478 999546557 /nfs/dbraw/zinc/54/65/57/999546557.db2.gz HBELGZVQSUMYLD-VIFPVBQESA-N -1 1 295.314 1.309 20 50 CDGDMM CCOC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825523472 608091814 /nfs/dbraw/zinc/09/18/14/608091814.db2.gz QLPHTGRBQAXUJV-UHFFFAOYSA-N -1 1 280.313 1.398 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@H](NC(=O)NN=c2[nH]cncc2Cl)C1 ZINC001594781082 953629211 /nfs/dbraw/zinc/62/92/11/953629211.db2.gz GBJQPSLUJCHKDV-RQJHMYQMSA-N -1 1 299.718 1.009 20 50 CDGDMM O=C([O-])C1(C(=O)NNc2ccnc3ccccc32)CCC1 ZINC001594867810 954322283 /nfs/dbraw/zinc/32/22/83/954322283.db2.gz SVDRHFZEVTWYRU-UHFFFAOYSA-N -1 1 285.303 1.355 20 50 CDGDMM O=C([O-])[C@H](C(=O)NNc1ccnc2ccccc21)C1CC1 ZINC001605901277 972734794 /nfs/dbraw/zinc/73/47/94/972734794.db2.gz OKPGLIODSKOEFT-ZDUSSCGKSA-N -1 1 285.303 1.211 20 50 CDGDMM Cc1cc(NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)nc(C)n1 ZINC001605213386 972955942 /nfs/dbraw/zinc/95/59/42/972955942.db2.gz GQZJYNMIAUROMP-LBPRGKRZSA-N -1 1 292.339 1.428 20 50 CDGDMM C[C@H](CBr)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592210433 977253313 /nfs/dbraw/zinc/25/33/13/977253313.db2.gz CALZVOTXJSDPEC-VGMNWLOBSA-N -1 1 280.162 1.191 20 50 CDGDMM C[C@@H]1C(=NNC(=O)c2cc[nH]n2)CC[C@@H]1CC(=O)[O-] ZINC000853391757 979605885 /nfs/dbraw/zinc/60/58/85/979605885.db2.gz XOCWRQJTJXTNAF-JGVFFNPUSA-N -1 1 264.285 1.016 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591550636 992741900 /nfs/dbraw/zinc/74/19/00/992741900.db2.gz JRCXJWIRYPGGMT-UHFFFAOYSA-N -1 1 283.303 1.307 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)s1)C(N)=C(C#N)C#N ZINC000822795682 946176646 /nfs/dbraw/zinc/17/66/46/946176646.db2.gz FUWYUDHZZJUYDG-CLTKARDFSA-N -1 1 294.303 1.095 20 50 CDGDMM O=C([O-])CCCC(=O)NNc1ccnc2ccccc21 ZINC001606136972 973389247 /nfs/dbraw/zinc/38/92/47/973389247.db2.gz XMIAEDGIGXWCOV-UHFFFAOYSA-N -1 1 273.292 1.355 20 50 CDGDMM C[C@@H](CC(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC000827303905 602298860 /nfs/dbraw/zinc/29/88/60/602298860.db2.gz LBTITJQKFGNTFG-VIFPVBQESA-N -1 1 273.292 1.211 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001591550967 992743549 /nfs/dbraw/zinc/74/35/49/992743549.db2.gz PLEOPNXDNQEWRI-UHFFFAOYSA-N -1 1 283.303 1.307 20 50 CDGDMM CC(C)N(C)CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833495926 605732570 /nfs/dbraw/zinc/73/25/70/605732570.db2.gz GKPSLCDIFXFRPT-UHFFFAOYSA-N -1 1 265.313 1.168 20 50 CDGDMM Cc1cccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737398954 945055793 /nfs/dbraw/zinc/05/57/93/945055793.db2.gz FUVAFXPCWIFLOY-UHFFFAOYSA-N -1 1 295.306 1.327 20 50 CDGDMM Cc1cccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737398954 945055807 /nfs/dbraw/zinc/05/58/07/945055807.db2.gz FUVAFXPCWIFLOY-UHFFFAOYSA-N -1 1 295.306 1.327 20 50 CDGDMM CC[C@H](C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820859813 945573143 /nfs/dbraw/zinc/57/31/43/945573143.db2.gz GRACDMFCOKNFJI-ZETCQYMHSA-N -1 1 278.341 1.424 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001594780235 953624918 /nfs/dbraw/zinc/62/49/18/953624918.db2.gz OQIXTOKPXZMKHQ-JGVFFNPUSA-N -1 1 269.688 1.289 20 50 CDGDMM N#Cc1ccc(=NNC(=O)Nc2cncc(C(=O)[O-])c2)[nH]c1 ZINC001605612400 973925917 /nfs/dbraw/zinc/92/59/17/973925917.db2.gz KBSWRJZDCBCCLB-UHFFFAOYSA-N -1 1 298.262 1.195 20 50 CDGDMM C[C@@H]1CCN(CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001594414477 999546789 /nfs/dbraw/zinc/54/67/89/999546789.db2.gz HBELGZVQSUMYLD-SECBINFHSA-N -1 1 295.314 1.309 20 50 CDGDMM C[C@H]1C(=NNC(=O)c2cc[nH]n2)CC[C@@H]1CC(=O)[O-] ZINC000853391756 979606016 /nfs/dbraw/zinc/60/60/16/979606016.db2.gz XOCWRQJTJXTNAF-HTQZYQBOSA-N -1 1 264.285 1.016 20 50 CDGDMM C[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)cn2)O[C@H]1C(=O)[O-] ZINC001599876204 989422367 /nfs/dbraw/zinc/42/23/67/989422367.db2.gz VSHGSTNJRVFXOR-GTNGPMTGSA-N -1 1 299.714 1.056 20 50 CDGDMM N#CC(=Cc1ccc(-c2nnn[n-]2)o1)c1ccccn1 ZINC000822795975 946180560 /nfs/dbraw/zinc/18/05/60/946180560.db2.gz JOXXAJAVFPEFTM-CLFYSBASSA-N -1 1 264.248 1.919 20 50 CDGDMM N#CC(=Cc1ccc(-c2nn[n-]n2)o1)c1ccccn1 ZINC000822795975 946180567 /nfs/dbraw/zinc/18/05/67/946180567.db2.gz JOXXAJAVFPEFTM-CLFYSBASSA-N -1 1 264.248 1.919 20 50 CDGDMM Cc1[nH]c(C(=O)NN=c2ccc(C#N)c[nH]2)c(C)c1C(=O)[O-] ZINC001599954002 985656324 /nfs/dbraw/zinc/65/63/24/985656324.db2.gz QRSGYAYVOLKOCL-UHFFFAOYSA-N -1 1 299.290 1.353 20 50 CDGDMM COc1cccc(=NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)[nH]1 ZINC001594131753 958681133 /nfs/dbraw/zinc/68/11/33/958681133.db2.gz JQQLIKLXBZHSNI-LBPRGKRZSA-N -1 1 293.323 1.424 20 50 CDGDMM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819750605 945282335 /nfs/dbraw/zinc/28/23/35/945282335.db2.gz GXTZARHHOYUGNK-VURMDHGXSA-N -1 1 271.236 1.096 20 50 CDGDMM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819750605 945282342 /nfs/dbraw/zinc/28/23/42/945282342.db2.gz GXTZARHHOYUGNK-VURMDHGXSA-N -1 1 271.236 1.096 20 50 CDGDMM CC(C)CNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820093333 945349532 /nfs/dbraw/zinc/34/95/32/945349532.db2.gz WADIZFUWMWXBLN-WEVVVXLNSA-N -1 1 286.295 1.139 20 50 CDGDMM CC(C)CNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820093333 945349543 /nfs/dbraw/zinc/34/95/43/945349543.db2.gz WADIZFUWMWXBLN-WEVVVXLNSA-N -1 1 286.295 1.139 20 50 CDGDMM Cc1cc(=NNC(=O)c2cccc(C(=O)[O-])c2)[nH]cn1 ZINC000738461537 955241960 /nfs/dbraw/zinc/24/19/60/955241960.db2.gz GSQOPGCHNCKWJM-UHFFFAOYSA-N -1 1 272.264 1.240 20 50 CDGDMM COc1cccc(=NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[nH]1 ZINC001594131891 958683988 /nfs/dbraw/zinc/68/39/88/958683988.db2.gz TUVNEEYEQGUKOA-JTQLQIEISA-N -1 1 281.312 1.280 20 50 CDGDMM C=C(CBr)CN1CCSC[C@H]1CC(=O)[O-] ZINC001588605249 983691761 /nfs/dbraw/zinc/69/17/61/983691761.db2.gz FJKCVRJGCKBIJH-SECBINFHSA-N -1 1 294.214 1.830 20 50 CDGDMM CN1CCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001598602429 993578274 /nfs/dbraw/zinc/57/82/74/993578274.db2.gz CLSWMMHLFHCWOV-NSHDSACASA-N -1 1 281.287 1.061 20 50 CDGDMM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(C)C ZINC000833636645 605247721 /nfs/dbraw/zinc/24/77/21/605247721.db2.gz YNLAGZXQXRHZBP-NSHDSACASA-N -1 1 299.758 1.822 20 50 CDGDMM CC[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)N(CC)CC ZINC000833636448 604800870 /nfs/dbraw/zinc/80/08/70/604800870.db2.gz RTXRRNVPFAQXAT-NSHDSACASA-N -1 1 294.355 1.343 20 50 CDGDMM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819751192 945282050 /nfs/dbraw/zinc/28/20/50/945282050.db2.gz SLTPUVAADPPXQH-SOFGYWHQSA-N -1 1 287.304 1.564 20 50 CDGDMM CC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820860288 945574657 /nfs/dbraw/zinc/57/46/57/945574657.db2.gz JBGAFXZHJUNKBM-HWPCKVLBSA-N -1 1 271.280 1.982 20 50 CDGDMM CC[C@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820860288 945574667 /nfs/dbraw/zinc/57/46/67/945574667.db2.gz JBGAFXZHJUNKBM-HWPCKVLBSA-N -1 1 271.280 1.982 20 50 CDGDMM COc1cccc(=NNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)[nH]1 ZINC001594131844 958683477 /nfs/dbraw/zinc/68/34/77/958683477.db2.gz QLAJIYIYUQDWDU-CYBMUJFWSA-N -1 1 279.296 1.034 20 50 CDGDMM COc1cccc(=NNC(=O)CCCCC(=O)[O-])[nH]1 ZINC001604871280 974120559 /nfs/dbraw/zinc/12/05/59/974120559.db2.gz PBHPVTYMDDDMDD-UHFFFAOYSA-N -1 1 267.285 1.178 20 50 CDGDMM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)C2(C)CC2)o1 ZINC000820203890 945380756 /nfs/dbraw/zinc/38/07/56/945380756.db2.gz YVFMAIKIHTVFPQ-UHFFFAOYSA-N -1 1 291.315 1.221 20 50 CDGDMM Cc1cc(NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])nc(C)n1 ZINC000738462697 978542118 /nfs/dbraw/zinc/54/21/18/978542118.db2.gz SKCXXRVEVAYVKG-SNVBAGLBSA-N -1 1 295.343 1.219 20 50 CDGDMM CCN(CC(=O)NNc1ccccc1C(=O)[O-])C1CC1 ZINC001596206524 983592768 /nfs/dbraw/zinc/59/27/68/983592768.db2.gz GIZCBYKACWBSDR-UHFFFAOYSA-N -1 1 277.324 1.312 20 50 CDGDMM CC(C)CC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820051922 945339689 /nfs/dbraw/zinc/33/96/89/945339689.db2.gz XZEUQXTYBGNCJW-RMKNXTFCSA-N -1 1 271.280 1.982 20 50 CDGDMM CC(C)CC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820051922 945339695 /nfs/dbraw/zinc/33/96/95/945339695.db2.gz XZEUQXTYBGNCJW-RMKNXTFCSA-N -1 1 271.280 1.982 20 50 CDGDMM O=C([O-])C1(CNC(=O)NNc2ccc(Cl)cn2)CCC1 ZINC001594741952 953364326 /nfs/dbraw/zinc/36/43/26/953364326.db2.gz ABGIBLXXLUWHEM-UHFFFAOYSA-N -1 1 298.730 1.616 20 50 CDGDMM O=C([O-])C1(C(=O)NNc2ccnc3ccccc32)CC=CC1 ZINC001594867940 954322587 /nfs/dbraw/zinc/32/25/87/954322587.db2.gz VWEYRYMQWCFWNB-UHFFFAOYSA-N -1 1 297.314 1.521 20 50 CDGDMM CC(C)CC(=O)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000820051291 945339779 /nfs/dbraw/zinc/33/97/79/945339779.db2.gz MJNBQRSPOWVJFS-UHFFFAOYSA-N -1 1 278.341 1.424 20 50 CDGDMM CC(C)c1ncc[nH]c1=NNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001603110232 972188872 /nfs/dbraw/zinc/18/88/72/972188872.db2.gz YQWKBXGICBTQCL-OQPBUACISA-N -1 1 278.312 1.154 20 50 CDGDMM O=C([O-])c1cccc(C(=O)NNc2ncc(F)cn2)c1 ZINC000821549450 955517634 /nfs/dbraw/zinc/51/76/34/955517634.db2.gz CZIOYGMJYYPLIZ-UHFFFAOYSA-N -1 1 276.227 1.071 20 50 CDGDMM O=C([O-])c1cccc(C(=O)NN=c2ncc(F)c[nH]2)c1 ZINC000821549450 955517639 /nfs/dbraw/zinc/51/76/39/955517639.db2.gz CZIOYGMJYYPLIZ-UHFFFAOYSA-N -1 1 276.227 1.071 20 50 CDGDMM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NN=c1[nH]cncc1Cl ZINC001588633235 959628723 /nfs/dbraw/zinc/62/87/23/959628723.db2.gz FQLLFTIRTNDFTQ-SSDOTTSWSA-N -1 1 286.719 1.320 20 50 CDGDMM CC(C)[C@H](C(=O)NNc1ccc(C(=O)[O-])c(F)c1)N(C)C ZINC001591852137 976133523 /nfs/dbraw/zinc/13/35/23/976133523.db2.gz GAUDPFAFEKQGDZ-GFCCVEGCSA-N -1 1 297.330 1.553 20 50 CDGDMM CCN(CC)CC(=O)NNc1cccc(F)c1C(=O)[O-] ZINC001596260286 983673951 /nfs/dbraw/zinc/67/39/51/983673951.db2.gz PBYBIXKYCBXQBB-UHFFFAOYSA-N -1 1 283.303 1.309 20 50 CDGDMM CN(C)C1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCC1 ZINC001598178087 990732487 /nfs/dbraw/zinc/73/24/87/990732487.db2.gz BISYOXOLDALAMI-UHFFFAOYSA-N -1 1 295.314 1.451 20 50 CDGDMM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC000833635993 605735417 /nfs/dbraw/zinc/73/54/17/605735417.db2.gz DAZIJRZYDJTURX-NSHDSACASA-N -1 1 265.313 1.168 20 50 CDGDMM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820137367 945360971 /nfs/dbraw/zinc/36/09/71/945360971.db2.gz JVLWMRFCCFXFHF-YVMONPNESA-N -1 1 273.252 1.318 20 50 CDGDMM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820137367 945360982 /nfs/dbraw/zinc/36/09/82/945360982.db2.gz JVLWMRFCCFXFHF-YVMONPNESA-N -1 1 273.252 1.318 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000823273416 946379791 /nfs/dbraw/zinc/37/97/91/946379791.db2.gz MRDIKLSKHPZTGM-UHFFFAOYSA-N -1 1 290.352 1.569 20 50 CDGDMM CC(C)(C(=O)[O-])C(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001602836709 971662297 /nfs/dbraw/zinc/66/22/97/971662297.db2.gz GOFFUZCHYDISGB-UHFFFAOYSA-N -1 1 291.229 1.654 20 50 CDGDMM CCC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N(C)C ZINC000833647923 605282644 /nfs/dbraw/zinc/28/26/44/605282644.db2.gz LQIVIGGENRFVGW-LBPRGKRZSA-N -1 1 279.340 1.558 20 50 CDGDMM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821071355 945628189 /nfs/dbraw/zinc/62/81/89/945628189.db2.gz BRLRKKSGJBIKGR-CLFYSBASSA-N -1 1 287.279 1.710 20 50 CDGDMM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821071355 945628193 /nfs/dbraw/zinc/62/81/93/945628193.db2.gz BRLRKKSGJBIKGR-CLFYSBASSA-N -1 1 287.279 1.710 20 50 CDGDMM C[C@H](C(=O)[O-])C(=O)NNc1ncc(Cl)cc1Cl ZINC001588575829 959227585 /nfs/dbraw/zinc/22/75/85/959227585.db2.gz LEQJTVSRXRXCIV-BYPYZUCNSA-N -1 1 278.095 1.552 20 50 CDGDMM CCCN(C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1 ZINC001595835977 982740703 /nfs/dbraw/zinc/74/07/03/982740703.db2.gz XWMSWDGJZCSDGR-UHFFFAOYSA-N -1 1 283.303 1.309 20 50 CDGDMM Cc1cc(C(=O)[O-])cc(C(=O)NN=c2ccc(C#N)c[nH]2)c1 ZINC001594288218 957793917 /nfs/dbraw/zinc/79/39/17/957793917.db2.gz DWTOJGIUUYCBEM-UHFFFAOYSA-N -1 1 296.286 1.717 20 50 CDGDMM COc1cccc(=NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)[nH]1 ZINC001604871160 974119241 /nfs/dbraw/zinc/11/92/41/974119241.db2.gz MEHOKTRGQJIGFE-AWEZNQCLSA-N -1 1 291.307 1.344 20 50 CDGDMM O=C([O-])[C@H]1CN(C[C@H](CBr)C2CC2)CCO1 ZINC001594954162 954971665 /nfs/dbraw/zinc/97/16/65/954971665.db2.gz WCZMGXXUYKXVIW-VHSXEESVSA-N -1 1 292.173 1.193 20 50 CDGDMM CC(=NNC(=O)CC(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948449 608093196 /nfs/dbraw/zinc/09/31/96/608093196.db2.gz NFJNUUOKOXFMIS-UHFFFAOYSA-N -1 1 292.368 1.815 20 50 CDGDMM CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC000833635992 605735493 /nfs/dbraw/zinc/73/54/93/605735493.db2.gz DAZIJRZYDJTURX-LLVKDONJSA-N -1 1 265.313 1.168 20 50 CDGDMM CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821314226 945667742 /nfs/dbraw/zinc/66/77/42/945667742.db2.gz JKTCATJOFPJMLD-FNORWQNLSA-N -1 1 275.293 1.398 20 50 CDGDMM CC(=NNC(=O)C(C)(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948805 608094376 /nfs/dbraw/zinc/09/43/76/608094376.db2.gz YWCBCILOKCJRMC-UHFFFAOYSA-N -1 1 292.368 1.815 20 50 CDGDMM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)s1 ZINC000819751147 945281070 /nfs/dbraw/zinc/28/10/70/945281070.db2.gz SAAFCHLTZSBLNT-VURMDHGXSA-N -1 1 286.320 1.137 20 50 CDGDMM N#Cc1ccc(=NNC(=O)Nc2cc(C(=O)[O-])ccn2)[nH]c1 ZINC001601107692 970934737 /nfs/dbraw/zinc/93/47/37/970934737.db2.gz DMHDKKPEMMAMKW-UHFFFAOYSA-N -1 1 298.262 1.195 20 50 CDGDMM O=C([O-])C1(C(=O)NN=c2ccc(Cl)c[nH]2)CCC1 ZINC001594867851 954322527 /nfs/dbraw/zinc/32/25/27/954322527.db2.gz UMHHMZHOXXTXDC-UHFFFAOYSA-N -1 1 269.688 1.433 20 50 CDGDMM N#Cc1ccc(=NNC(=O)NCCCCCC(=O)[O-])[nH]c1 ZINC001594623602 956297825 /nfs/dbraw/zinc/29/78/25/956297825.db2.gz CYDXAJKEIXVKJI-UHFFFAOYSA-N -1 1 291.311 1.224 20 50 CDGDMM O=C([O-])CCCC(=O)NNc1cc(C(F)(F)F)ccn1 ZINC001606136825 973387373 /nfs/dbraw/zinc/38/73/73/973387373.db2.gz IEXAOKBUZHRBSA-UHFFFAOYSA-N -1 1 291.229 1.798 20 50 CDGDMM CC[C@@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N(C)C ZINC001597282231 987353491 /nfs/dbraw/zinc/35/34/91/987353491.db2.gz HLCQPCMOBJXUFO-JTQLQIEISA-N -1 1 283.303 1.307 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC000823273510 946382889 /nfs/dbraw/zinc/38/28/89/946382889.db2.gz QCLDAEHTOJZAQT-UHFFFAOYSA-N -1 1 274.284 1.100 20 50 CDGDMM O=C(NN=Cc1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC000823273510 946382901 /nfs/dbraw/zinc/38/29/01/946382901.db2.gz QCLDAEHTOJZAQT-UHFFFAOYSA-N -1 1 274.284 1.100 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@H](C(=O)NN=c2[nH]cncc2Cl)C1 ZINC001605820975 972550694 /nfs/dbraw/zinc/55/06/94/972550694.db2.gz PCRIXFINSFFABH-NKWVEPMBSA-N -1 1 284.703 1.074 20 50 CDGDMM O=C([O-])[C@@H]1CC[C@H]1C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001606407781 973859701 /nfs/dbraw/zinc/85/97/01/973859701.db2.gz OQIXTOKPXZMKHQ-HTQZYQBOSA-N -1 1 269.688 1.289 20 50 CDGDMM COc1cc(C(=O)[O-])ccc1NNC(=O)CN(C)C(C)C ZINC001599377143 998505514 /nfs/dbraw/zinc/50/55/14/998505514.db2.gz LXKZVIVMHJYACP-UHFFFAOYSA-N -1 1 295.339 1.177 20 50 CDGDMM C[C@@H](CBr)CN1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001592210431 977253105 /nfs/dbraw/zinc/25/31/05/977253105.db2.gz CALZVOTXJSDPEC-CIUDSAMLSA-N -1 1 280.162 1.191 20 50 CDGDMM Cc1cc(NNC(=O)CCCCC(=O)[O-])nc(C)n1 ZINC001594325151 958160537 /nfs/dbraw/zinc/16/05/37/958160537.db2.gz COKAGTBZTVYIIS-UHFFFAOYSA-N -1 1 266.301 1.182 20 50 CDGDMM O=C([O-])NCCCC(=O)NNc1ccnc2ccccc21 ZINC000739957575 978660839 /nfs/dbraw/zinc/66/08/39/978660839.db2.gz WQLASMJVBMJRAV-UHFFFAOYSA-N -1 1 288.307 1.148 20 50 CDGDMM Cc1cc(CC(=O)NN=Cc2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000767396832 978737178 /nfs/dbraw/zinc/73/71/78/978737178.db2.gz VBPFHQQSLHWWGN-UHFFFAOYSA-N -1 1 286.291 1.109 20 50 CDGDMM CN(C)C1(C(=O)NNc2cccc(C(=O)[O-])c2)CCC1 ZINC001598178302 990733801 /nfs/dbraw/zinc/73/38/01/990733801.db2.gz FQKHUPZNBYETCR-UHFFFAOYSA-N -1 1 277.324 1.312 20 50 CDGDMM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)N(C)C ZINC000833636210 604647673 /nfs/dbraw/zinc/64/76/73/604647673.db2.gz LMIXWCMTDBMQJU-NSHDSACASA-N -1 1 295.339 1.177 20 50 CDGDMM CCCN(C)CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595835531 982737969 /nfs/dbraw/zinc/73/79/69/982737969.db2.gz PPOXBBMPVPPECZ-UHFFFAOYSA-N -1 1 265.313 1.170 20 50 CDGDMM O=C(NNc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823281898 606592264 /nfs/dbraw/zinc/59/22/64/606592264.db2.gz ZXQCWBPPQDYZOP-UHFFFAOYSA-N -1 1 286.320 1.685 20 50 CDGDMM O=C(NNc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823281898 606592266 /nfs/dbraw/zinc/59/22/66/606592266.db2.gz ZXQCWBPPQDYZOP-UHFFFAOYSA-N -1 1 286.320 1.685 20 50 CDGDMM CCCNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)s1 ZINC000825332338 608094695 /nfs/dbraw/zinc/09/46/95/608094695.db2.gz GVNBONWAZIMVJT-UHFFFAOYSA-N -1 1 293.356 1.361 20 50 CDGDMM C[C@@H](CBr)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001592210434 977253366 /nfs/dbraw/zinc/25/33/66/977253366.db2.gz CALZVOTXJSDPEC-YIZRAAEISA-N -1 1 280.162 1.191 20 50 CDGDMM CCCN(C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001595835508 982738236 /nfs/dbraw/zinc/73/82/36/982738236.db2.gz PBSHRJXBGTZFKO-UHFFFAOYSA-N -1 1 283.303 1.309 20 50 CDGDMM CC(C)(C(=O)[O-])c1csc(N=CC(C#N)C#N)n1 ZINC001589657321 987630528 /nfs/dbraw/zinc/63/05/28/987630528.db2.gz ZNCFCOQRFCCHRW-UHFFFAOYSA-N -1 1 262.294 1.848 20 50 CDGDMM Cc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826291811 607457658 /nfs/dbraw/zinc/45/76/58/607457658.db2.gz WXWJZAABSKYRMV-UHFFFAOYSA-N -1 1 295.306 1.327 20 50 CDGDMM Cc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826291811 607457660 /nfs/dbraw/zinc/45/76/60/607457660.db2.gz WXWJZAABSKYRMV-UHFFFAOYSA-N -1 1 295.306 1.327 20 50 CDGDMM CCN(CC)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596260157 983673080 /nfs/dbraw/zinc/67/30/80/983673080.db2.gz KCUCHXMIQJTRBC-UHFFFAOYSA-N -1 1 299.758 1.823 20 50 CDGDMM CC(C)(C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819891637 945307771 /nfs/dbraw/zinc/30/77/71/945307771.db2.gz FMHVGSSOJSMHPQ-VURMDHGXSA-N -1 1 271.280 1.982 20 50 CDGDMM CC(C)(C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819891637 945307783 /nfs/dbraw/zinc/30/77/83/945307783.db2.gz FMHVGSSOJSMHPQ-VURMDHGXSA-N -1 1 271.280 1.982 20 50 CDGDMM CC(C)(C)C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819891636 945307857 /nfs/dbraw/zinc/30/78/57/945307857.db2.gz FMHVGSSOJSMHPQ-SOFGYWHQSA-N -1 1 271.280 1.982 20 50 CDGDMM CC(C)(C)C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819891636 945307866 /nfs/dbraw/zinc/30/78/66/945307866.db2.gz FMHVGSSOJSMHPQ-SOFGYWHQSA-N -1 1 271.280 1.982 20 50 CDGDMM CC(C)(CCNC(=O)NN=c1ccc(C#N)c[nH]1)C(=O)[O-] ZINC001602942743 971911061 /nfs/dbraw/zinc/91/10/61/971911061.db2.gz PGXZFDBNNSOSDB-UHFFFAOYSA-N -1 1 291.311 1.080 20 50 CDGDMM Cc1ccc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000822226569 946007408 /nfs/dbraw/zinc/00/74/08/946007408.db2.gz YQUVSTYABBHWKW-UHFFFAOYSA-N -1 1 286.251 1.125 20 50 CDGDMM Cc1ccc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)o2)o1 ZINC000822226569 946007419 /nfs/dbraw/zinc/00/74/19/946007419.db2.gz YQUVSTYABBHWKW-UHFFFAOYSA-N -1 1 286.251 1.125 20 50 CDGDMM O=C([O-])C1(C(=O)NN=c2ccc(Cl)c[nH]2)CCOCC1 ZINC001605935549 972875622 /nfs/dbraw/zinc/87/56/22/972875622.db2.gz NTCUCGCXPFRTNT-UHFFFAOYSA-N -1 1 299.714 1.060 20 50 CDGDMM C[C@H]1CCN(CC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC001594415123 999553582 /nfs/dbraw/zinc/55/35/82/999553582.db2.gz WLOSZGPNBOMSMR-JTQLQIEISA-N -1 1 277.324 1.170 20 50 CDGDMM Cc1cc(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nc(C)n1 ZINC000832898828 601211665 /nfs/dbraw/zinc/21/16/65/601211665.db2.gz UUZUZYRJZIIZGZ-GHMZBOCLSA-N -1 1 292.339 1.428 20 50 CDGDMM O=C([O-])C1(C(=O)NN=c2ncc(F)c[nH]2)CCCCC1 ZINC001594867619 954321536 /nfs/dbraw/zinc/32/15/36/954321536.db2.gz OVOCPDRMXBCJML-UHFFFAOYSA-N -1 1 282.275 1.094 20 50 CDGDMM CC(=NNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823948778 608091783 /nfs/dbraw/zinc/09/17/83/608091783.db2.gz XSFIKUHFXJCUAS-UHFFFAOYSA-N -1 1 276.325 1.178 20 50 CDGDMM CCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)o1 ZINC000821065779 945628171 /nfs/dbraw/zinc/62/81/71/945628171.db2.gz MZTHFTJNPILAEZ-VQHVLOKHSA-N -1 1 286.295 1.283 20 50 CDGDMM CCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)o1 ZINC000821065779 945628178 /nfs/dbraw/zinc/62/81/78/945628178.db2.gz MZTHFTJNPILAEZ-VQHVLOKHSA-N -1 1 286.295 1.283 20 50 CDGDMM COc1cccc(NNC(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC001599679995 994963719 /nfs/dbraw/zinc/96/37/19/994963719.db2.gz SCJCMZCLYRGYHR-UHFFFAOYSA-N -1 1 291.263 1.447 20 50 CDGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NN=c1[nH]ccnc1C1CCC1 ZINC001594227533 959437896 /nfs/dbraw/zinc/43/78/96/959437896.db2.gz SBJFMLZUVFDQSB-CLAHSXSESA-N -1 1 290.323 1.298 20 50 CDGDMM N#Cc1ccc(=NNC(=O)c2ccc(C(=O)[O-])cc2)[nH]c1 ZINC001594624259 956303992 /nfs/dbraw/zinc/30/39/92/956303992.db2.gz WEIQLBVVNYZIMQ-UHFFFAOYSA-N -1 1 282.259 1.408 20 50 CDGDMM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NN=c1ccc(Cl)c[nH]1 ZINC001605022837 972630140 /nfs/dbraw/zinc/63/01/40/972630140.db2.gz ADTAFQMNFOJRKF-KBUNVGBDSA-N -1 1 269.688 1.289 20 50 CDGDMM CCCN(C)CC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595835905 982741058 /nfs/dbraw/zinc/74/10/58/982741058.db2.gz WMSAVIWLIDXPEQ-UHFFFAOYSA-N -1 1 279.340 1.099 20 50 CDGDMM COc1cccc(=NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)[nH]1 ZINC001604871162 974119630 /nfs/dbraw/zinc/11/96/30/974119630.db2.gz MEHOKTRGQJIGFE-CQSZACIVSA-N -1 1 291.307 1.344 20 50 CDGDMM CCC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)N(C)C ZINC000833647506 605730859 /nfs/dbraw/zinc/73/08/59/605730859.db2.gz FNOSJHQZIMPNOW-LBPRGKRZSA-N -1 1 279.340 1.558 20 50 CDGDMM C[C@](C#N)(CC(=O)[O-])C(=O)NNc1ccnc2ccccc21 ZINC000819846346 955452369 /nfs/dbraw/zinc/45/23/69/955452369.db2.gz ARNJSHVSLNIEFT-OAHLLOKOSA-N -1 1 298.302 1.104 20 50 CDGDMM CC(C)(CC(=O)[O-])CC(=O)NN=c1[nH]cncc1Cl ZINC001590635568 990324154 /nfs/dbraw/zinc/32/41/54/990324154.db2.gz YMHLUBIRFLNHSS-UHFFFAOYSA-N -1 1 286.719 1.464 20 50 CDGDMM