smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccccc1Br ZINC000833064791 601331877 /nfs/dbraw/zinc/33/18/77/601331877.db2.gz WEWBNRDRVMZZLL-VQHVLOKHSA-N -1 0 360.167 3.021 20 50 FGGDRM O=C([O-])NNC(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000833280244 601488408 /nfs/dbraw/zinc/48/84/08/601488408.db2.gz CVBXXCAMYQKXHV-UHFFFAOYSA-N -1 0 365.777 3.352 20 50 FGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1C ZINC000829446558 601527473 /nfs/dbraw/zinc/52/74/73/601527473.db2.gz BZJPEQQNQIYMEB-BHEJFATLSA-N -1 0 357.454 3.182 20 50 FGGDRM O=C([O-])c1cc(OC(=O)CCCc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000833098267 601676788 /nfs/dbraw/zinc/67/67/88/601676788.db2.gz LVTDCKUEWBYNGK-UHFFFAOYSA-N -1 0 365.288 3.500 20 50 FGGDRM N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000833065016 601790803 /nfs/dbraw/zinc/79/08/03/601790803.db2.gz ZPCLOKBYLBACNF-XCVCLJGOSA-N -1 0 371.201 3.358 20 50 FGGDRM CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000830065051 602000417 /nfs/dbraw/zinc/00/04/17/602000417.db2.gz ZMTPOUNHWRQGHQ-UKTHLTGXSA-N -1 0 357.387 3.495 20 50 FGGDRM Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1NC(=O)[O-] ZINC000830225013 603224128 /nfs/dbraw/zinc/22/41/28/603224128.db2.gz DRAMJHCCCKMSSI-UHFFFAOYSA-N -1 0 371.437 3.062 20 50 FGGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNc1cc(Cl)ccc1Cl)C2 ZINC000831742864 603862702 /nfs/dbraw/zinc/86/27/02/603862702.db2.gz SZCNJBUAPZCHPW-FGWVZKOKSA-N -1 0 373.240 3.293 20 50 FGGDRM O=C([O-])c1cccc(COC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1 ZINC000833783475 604731588 /nfs/dbraw/zinc/73/15/88/604731588.db2.gz IVDPUOIWDITNRQ-OWRWGESLSA-N -1 0 353.212 3.382 20 50 FGGDRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)NNc2ccccc2)c1 ZINC000833754623 604737354 /nfs/dbraw/zinc/73/73/54/604737354.db2.gz YNSJMTJGXDFXDO-UHFFFAOYSA-N -1 0 351.366 3.028 20 50 FGGDRM C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1c(Cl)cccc1Cl ZINC000833407679 605040387 /nfs/dbraw/zinc/04/03/87/605040387.db2.gz VAZNYUXHJPLBLT-SECBINFHSA-N -1 0 354.193 3.204 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)Cc1csc(-c2cccs2)n1 ZINC000833765658 605259315 /nfs/dbraw/zinc/25/93/15/605259315.db2.gz VGQOWAOKPRMVHB-UHFFFAOYSA-N -1 0 359.432 3.256 20 50 FGGDRM C[C@@H](C(=O)NN=c1ccc2ccccc2[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833792011 605320848 /nfs/dbraw/zinc/32/08/48/605320848.db2.gz XUPNFWHKODJHOT-FZKQIMNGSA-N -1 0 364.405 3.323 20 50 FGGDRM O=C([O-])Nc1ccc(NC(=O)NNc2ccccn2)c(C(F)(F)F)c1 ZINC000834263201 605606121 /nfs/dbraw/zinc/60/61/21/605606121.db2.gz ZYOPZTMMCSBDSE-UHFFFAOYSA-N -1 0 355.276 3.339 20 50 FGGDRM O=C([O-])NCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000834248187 605665064 /nfs/dbraw/zinc/66/50/64/605665064.db2.gz BGYQZBAYLZXVEV-UHFFFAOYSA-N -1 0 353.300 3.230 20 50 FGGDRM O=C([O-])Nc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000834256041 605665117 /nfs/dbraw/zinc/66/51/17/605665117.db2.gz NSXDIMYDGUZXIK-UHFFFAOYSA-N -1 0 353.300 3.481 20 50 FGGDRM CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833445019 605730363 /nfs/dbraw/zinc/73/03/63/605730363.db2.gz UWMSKUUFYMNCPS-UHFFFAOYSA-N -1 0 356.378 3.097 20 50 FGGDRM O=C([O-])c1cccc(NNC(=O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000833764680 605738575 /nfs/dbraw/zinc/73/85/75/605738575.db2.gz OWIGIQROEKOADF-UHFFFAOYSA-N -1 0 355.177 3.214 20 50 FGGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(N2CCCC2)c1 ZINC000833520589 605745821 /nfs/dbraw/zinc/74/58/21/605745821.db2.gz GBXNTEJMEWLNLH-CQSZACIVSA-N -1 0 368.437 3.372 20 50 FGGDRM CC1(C)C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC000833556283 605746125 /nfs/dbraw/zinc/74/61/25/605746125.db2.gz QTUAEKKGCDJPSH-OAHLLOKOSA-N -1 0 373.384 3.452 20 50 FGGDRM C[C@H]1CCc2sc(C(=O)NN[C@H](C(=O)[O-])c3ccccc3F)cc2C1 ZINC000828311405 600733147 /nfs/dbraw/zinc/73/31/47/600733147.db2.gz XNFUIXVBKDHKEU-QFYYESIMSA-N -1 0 362.426 3.072 20 50 FGGDRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C ZINC000828611783 601133293 /nfs/dbraw/zinc/13/32/93/601133293.db2.gz GEPBGFGBCMYVRL-ZUNINTSYSA-N -1 0 359.470 3.428 20 50 FGGDRM CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000827140024 601210312 /nfs/dbraw/zinc/21/03/12/601210312.db2.gz WJDIKQKEWSFHDO-OLZOCXBDSA-N -1 0 363.483 3.019 20 50 FGGDRM CC[C@H](Oc1ccccc1C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000829014913 601447632 /nfs/dbraw/zinc/44/76/32/601447632.db2.gz UJJBGPWVIGHNID-HNNXBMFYSA-N -1 0 359.334 3.364 20 50 FGGDRM Cc1ccc(C)n1-c1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832925578 601448071 /nfs/dbraw/zinc/44/80/71/601448071.db2.gz PTNMKWCDBFRDRI-IBGZPJMESA-N -1 0 363.417 3.154 20 50 FGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000829441088 601625958 /nfs/dbraw/zinc/62/59/58/601625958.db2.gz QXIQUFXEFQMYAC-XUDLPTGHSA-N -1 0 357.454 3.278 20 50 FGGDRM COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1 ZINC000832000120 601789298 /nfs/dbraw/zinc/78/92/98/601789298.db2.gz IYRKRTBLTXLPPS-NYYWCZLTSA-N -1 0 359.769 3.229 20 50 FGGDRM COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(=O)[O-])cs2)c1C ZINC000831799904 602187012 /nfs/dbraw/zinc/18/70/12/602187012.db2.gz ATVWLSPNHWGIHB-VGOFMYFVSA-N -1 0 373.434 3.057 20 50 FGGDRM C[C@H](C(=O)NN=c1[nH]ccc2sccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702067 603620438 /nfs/dbraw/zinc/62/04/38/603620438.db2.gz IYVMELCQQBFLLM-XHDPSFHLSA-N -1 0 370.434 3.384 20 50 FGGDRM Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000830309145 603809117 /nfs/dbraw/zinc/80/91/17/603809117.db2.gz XVOOQJQTGVUBMC-WQRHYEAKSA-N -1 0 361.401 3.259 20 50 FGGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=CC1CCN(C(=O)[O-])CC1 ZINC000825618401 603857328 /nfs/dbraw/zinc/85/73/28/603857328.db2.gz WAHOTQHNTKCNKE-CQSZACIVSA-N -1 0 369.421 3.099 20 50 FGGDRM Cc1[nH]c(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(C)c1C(=O)[O-] ZINC000833740047 604468615 /nfs/dbraw/zinc/46/86/15/604468615.db2.gz NNBJVEYDFFGXEI-UHFFFAOYSA-N -1 0 359.279 3.245 20 50 FGGDRM Cc1cc([C@@H](C)OC(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)oc1C(=O)[O-] ZINC000832874907 604560881 /nfs/dbraw/zinc/56/08/81/604560881.db2.gz MDVQXQGSDRKGIA-KXQKXUNCSA-N -1 0 367.361 3.016 20 50 FGGDRM Cc1nc(C2CCCCC2)sc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833755472 605186484 /nfs/dbraw/zinc/18/64/84/605186484.db2.gz OPJUQOOFFXGZKK-UHFFFAOYSA-N -1 0 360.439 3.349 20 50 FGGDRM Cc1ccccc1-n1cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000833752875 605246474 /nfs/dbraw/zinc/24/64/74/605246474.db2.gz CLUCNPVPTTUORR-UHFFFAOYSA-N -1 0 370.796 3.289 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)COc1cc(Cl)ccc1Cl ZINC000833764274 605259289 /nfs/dbraw/zinc/25/92/89/605259289.db2.gz BUTNWKQWCNJBQG-UHFFFAOYSA-N -1 0 355.177 3.214 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)CCc1ccccc1Br ZINC000833763826 605261173 /nfs/dbraw/zinc/26/11/73/605261173.db2.gz INODVAQKNPYJHT-UHFFFAOYSA-N -1 0 363.211 3.223 20 50 FGGDRM C[C@H](C(=O)NN=c1ccc2ccccc2[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833792012 605320860 /nfs/dbraw/zinc/32/08/60/605320860.db2.gz XUPNFWHKODJHOT-SCLBCKFNSA-N -1 0 364.405 3.323 20 50 FGGDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cccc2ncccc21 ZINC000834044500 605724580 /nfs/dbraw/zinc/72/45/80/605724580.db2.gz DMCGMEZFUMJXJC-MAUKXSAKSA-N -1 0 366.421 3.263 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000833765755 605724692 /nfs/dbraw/zinc/72/46/92/605724692.db2.gz ZNRWYMMIBHZLGA-UHFFFAOYSA-N -1 0 353.403 3.194 20 50 FGGDRM CC(C)(C)C(=O)Nc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833421770 605772860 /nfs/dbraw/zinc/77/28/60/605772860.db2.gz CIJAGHPARZTIDB-UHFFFAOYSA-N -1 0 355.394 3.126 20 50 FGGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccnc3cc(Cl)ccc32)CC1 ZINC000834050528 605817685 /nfs/dbraw/zinc/81/76/85/605817685.db2.gz ZFQUTTGJZNPMRE-ZDUSSCGKSA-N -1 0 374.828 3.111 20 50 FGGDRM Cc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1NC(=O)[O-] ZINC000830225616 603346610 /nfs/dbraw/zinc/34/66/10/603346610.db2.gz RNHNIGCUGDBTAF-UHFFFAOYSA-N -1 0 364.745 3.403 20 50 FGGDRM Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(NC(=O)[O-])nc2)c1 ZINC000830251164 603485083 /nfs/dbraw/zinc/48/50/83/603485083.db2.gz NGFCVXGUUIBNBI-UHFFFAOYSA-N -1 0 370.409 3.132 20 50 FGGDRM O=C([O-])Nc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cn1 ZINC000832841032 603488850 /nfs/dbraw/zinc/48/88/50/603488850.db2.gz PRZRKSUIPQDXFL-UHFFFAOYSA-N -1 0 353.165 3.242 20 50 FGGDRM C[C@H](C(=O)NN=c1[nH]ccc2sccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702065 603620499 /nfs/dbraw/zinc/62/04/99/603620499.db2.gz IYVMELCQQBFLLM-NHYWBVRUSA-N -1 0 370.434 3.384 20 50 FGGDRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)CCCC[C@@H]1CCSS1)CC2 ZINC000831428702 604034465 /nfs/dbraw/zinc/03/44/65/604034465.db2.gz KILAAXQHICRIIH-HZSPNIEDSA-N -1 0 358.529 3.444 20 50 FGGDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000826102518 604536170 /nfs/dbraw/zinc/53/61/70/604536170.db2.gz AOWWBMSCSKHDNT-HNNXBMFYSA-N -1 0 372.381 3.073 20 50 FGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2CC(=O)[O-])c1C ZINC000829440023 604573207 /nfs/dbraw/zinc/57/32/07/604573207.db2.gz HZOLOWBDCZKTKP-RLGUWMIQSA-N -1 0 357.454 3.278 20 50 FGGDRM O=C([O-])N1CCCc2cccc(C=NNC(=O)CCOc3ccccc3)c21 ZINC000831436694 604827379 /nfs/dbraw/zinc/82/73/79/604827379.db2.gz OKTRCDASHRUPRH-UHFFFAOYSA-N -1 0 367.405 3.036 20 50 FGGDRM O=C([O-])c1cc(OC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1[N+](=O)[O-] ZINC000833785610 605163030 /nfs/dbraw/zinc/16/30/30/605163030.db2.gz IJXADGXLPMZYBW-CQSZACIVSA-N -1 0 371.345 3.406 20 50 FGGDRM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)c1c(C)noc1C ZINC000833636632 605246146 /nfs/dbraw/zinc/24/61/46/605246146.db2.gz XWFBOLWXTJYCLS-LLVKDONJSA-N -1 0 351.790 3.280 20 50 FGGDRM CCOc1ncc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000833665299 605247733 /nfs/dbraw/zinc/24/77/33/605247733.db2.gz QBAQKNHKGUZPKL-UHFFFAOYSA-N -1 0 370.192 3.242 20 50 FGGDRM COc1cccc(C=C(C#N)C(=O)OCc2cccc(NC(=O)[O-])c2)c1 ZINC000829550980 605539454 /nfs/dbraw/zinc/53/94/54/605539454.db2.gz WAOJBQNEPLBJIJ-OVCLIPMQSA-N -1 0 352.346 3.435 20 50 FGGDRM O=C([O-])N[C@@H](CC(F)F)C(=O)NN(Cc1ccccc1)c1ccccc1 ZINC000834136132 606003541 /nfs/dbraw/zinc/00/35/41/606003541.db2.gz QJOTZZIQXCJNIC-HNNXBMFYSA-N -1 0 363.364 3.016 20 50 FGGDRM CCC(CC)(NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)C(=O)[O-] ZINC000828820478 600976635 /nfs/dbraw/zinc/97/66/35/600976635.db2.gz KBYIOXQDNXZWAI-LICLKQGHSA-N -1 0 359.470 3.428 20 50 FGGDRM O=C([O-])Nc1ccc(CCNC(=O)NNc2cc(F)c(F)c(F)c2)cc1 ZINC000833288448 601151392 /nfs/dbraw/zinc/15/13/92/601151392.db2.gz XYBMAZIJVUANQH-UHFFFAOYSA-N -1 0 368.315 3.063 20 50 FGGDRM Cc1cc(C(=O)NN[C@@H](C(=O)[O-])c2ccccc2)c(C)n1-c1ccccc1 ZINC000832864657 601448203 /nfs/dbraw/zinc/44/82/03/601448203.db2.gz QPOWSEQYSJLIIY-LJQANCHMSA-N -1 0 363.417 3.154 20 50 FGGDRM CC(C)CCOc1ccc(C(=O)NN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000826861560 601453576 /nfs/dbraw/zinc/45/35/76/601453576.db2.gz YGGNEYSRLFISQH-SFHVURJKSA-N -1 0 356.422 3.172 20 50 FGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)n1CCC(C)C ZINC000832880736 601589673 /nfs/dbraw/zinc/58/96/73/601589673.db2.gz GLICIXNCGHERLE-DAIOKFOQSA-N -1 0 357.454 3.037 20 50 FGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000829441086 601625838 /nfs/dbraw/zinc/62/58/38/601625838.db2.gz QXIQUFXEFQMYAC-XCMFGDQWSA-N -1 0 357.454 3.278 20 50 FGGDRM C[C@@H](CC(=O)[O-])C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000827303147 602155799 /nfs/dbraw/zinc/15/57/99/602155799.db2.gz CBBWRZNCVDDIJE-LURJTMIESA-N -1 0 369.137 3.022 20 50 FGGDRM Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc32)cc1NC(=O)[O-] ZINC000830225809 602987805 /nfs/dbraw/zinc/98/78/05/602987805.db2.gz XWMNNSGPPGJMLP-UHFFFAOYSA-N -1 0 363.373 3.313 20 50 FGGDRM CC(C)(C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2)c1ccccc1 ZINC000823743579 603822346 /nfs/dbraw/zinc/82/23/46/603822346.db2.gz LEPXETHTRPSIEC-UHFFFAOYSA-N -1 0 351.406 3.155 20 50 FGGDRM O=C([O-])N1CCc2cccc(C=NNC(=O)c3ccc(Cl)cc3F)c21 ZINC000831735842 603823894 /nfs/dbraw/zinc/82/38/94/603823894.db2.gz CECIGSIUPKHRCM-UHFFFAOYSA-N -1 0 361.760 3.284 20 50 FGGDRM Cc1cccc(NC(=S)NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830522749 604031643 /nfs/dbraw/zinc/03/16/43/604031643.db2.gz UYNQAUSKUPOXTC-UHFFFAOYSA-N -1 0 358.423 3.025 20 50 FGGDRM CC[C@H](C)Oc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccn1 ZINC000833640774 605213519 /nfs/dbraw/zinc/21/35/19/605213519.db2.gz DHUVXHIJGWPYTF-JTQLQIEISA-N -1 0 360.322 3.085 20 50 FGGDRM CCCc1c(C(=O)NNc2ccc(OC)c(Cl)c2)[nH]c(C)c1C(=O)[O-] ZINC000833653490 605243935 /nfs/dbraw/zinc/24/39/35/605243935.db2.gz WFZPQHXLFBHNFE-UHFFFAOYSA-N -1 0 365.817 3.393 20 50 FGGDRM COc1c(F)ccc(F)c1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833727219 605246454 /nfs/dbraw/zinc/24/64/54/605246454.db2.gz QIMZTPMXXPCIMS-UHFFFAOYSA-N -1 0 356.712 3.082 20 50 FGGDRM O=C([O-])N[C@H](C(=O)NNc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000834121793 605723352 /nfs/dbraw/zinc/72/33/52/605723352.db2.gz MTGJUNUXKQCTEP-ZDUSSCGKSA-N -1 0 355.728 3.070 20 50 FGGDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1cccc2ncccc21 ZINC000834044502 605724478 /nfs/dbraw/zinc/72/44/78/605724478.db2.gz DMCGMEZFUMJXJC-YJBOKZPZSA-N -1 0 366.421 3.263 20 50 FGGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cccc2ncccc21 ZINC000834044498 605724607 /nfs/dbraw/zinc/72/46/07/605724607.db2.gz DMCGMEZFUMJXJC-CRAIPNDOSA-N -1 0 366.421 3.263 20 50 FGGDRM O=C([O-])N[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000834250465 605735864 /nfs/dbraw/zinc/73/58/64/605735864.db2.gz HJVVEZOIWONPSU-CYBMUJFWSA-N -1 0 369.299 3.037 20 50 FGGDRM O=C([O-])Nc1ncccc1C=NNC(=O)c1c(Cl)cccc1Cl ZINC000834279501 605955804 /nfs/dbraw/zinc/95/58/04/605955804.db2.gz JUHIYQBBHVUOAM-UHFFFAOYSA-N -1 0 353.165 3.242 20 50 FGGDRM CCCCCC[C@@H](CC)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825270672 608575526 /nfs/dbraw/zinc/57/55/26/608575526.db2.gz BGPOJJDYWYQYBZ-LLVKDONJSA-N -1 0 365.869 3.355 20 50 FGGDRM O=C([O-])[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000833118895 600733585 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354.819 3.315 20 50 FGGDRM Cc1cc(NNC(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1Br ZINC000832898221 604276299 /nfs/dbraw/zinc/27/62/99/604276299.db2.gz IGOGXPMVQOYAMG-UHFFFAOYSA-N -1 0 367.174 3.352 20 50 FGGDRM Cc1ccc(F)c(NNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000830332866 604413808 /nfs/dbraw/zinc/41/38/08/604413808.db2.gz FXALUGUJZVERTR-UHFFFAOYSA-N -1 0 360.389 3.007 20 50 FGGDRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)NNc2cccc(F)c2F)cc1 ZINC000825389854 604620655 /nfs/dbraw/zinc/62/06/55/604620655.db2.gz XDLBCOAFUQORHL-SNVBAGLBSA-N -1 0 364.352 3.120 20 50 FGGDRM CCCOc1cccc(CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000829541443 604659142 /nfs/dbraw/zinc/65/91/42/604659142.db2.gz NQSLQFSDIADVPE-UHFFFAOYSA-N -1 0 359.334 3.230 20 50 FGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccnc1 ZINC000833149536 604988397 /nfs/dbraw/zinc/98/83/97/604988397.db2.gz SRNCTBOZYWRYNL-INIZCTEOSA-N -1 0 371.393 3.010 20 50 FGGDRM O=C([O-])c1cc(OC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-] 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FGGDRM Cc1nc(CC(C)C)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000832998301 601676857 /nfs/dbraw/zinc/67/68/57/601676857.db2.gz KDGUMPUOMZPNOU-UHFFFAOYSA-N -1 0 364.379 3.476 20 50 FGGDRM CC[C@H](NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000828907078 601752113 /nfs/dbraw/zinc/75/21/13/601752113.db2.gz PPMQFFCGTGEOLK-FYXHJSOBSA-N -1 0 357.454 3.497 20 50 FGGDRM Cc1cc(NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)ccc1Br ZINC000830123645 603621049 /nfs/dbraw/zinc/62/10/49/603621049.db2.gz ZDKBLUMQNAIZGV-MNOVXSKESA-N -1 0 370.247 3.027 20 50 FGGDRM Cc1cc(NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)ccc1Br ZINC000830123644 603621192 /nfs/dbraw/zinc/62/11/92/603621192.db2.gz ZDKBLUMQNAIZGV-GHMZBOCLSA-N -1 0 370.247 3.027 20 50 FGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830871566 603955140 /nfs/dbraw/zinc/95/51/40/603955140.db2.gz UYSZDGGWWQOSLA-UHFFFAOYSA-N -1 0 362.817 3.032 20 50 FGGDRM O=C([O-])c1cc(OC(=O)c2ccc(OC3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000833785665 605078116 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CC(C)(C)NC(=O)c1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833430800 605710727 /nfs/dbraw/zinc/71/07/27/605710727.db2.gz ILWCEGAPOATUMZ-UHFFFAOYSA-N -1 0 370.409 3.062 20 50 FGGDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1O ZINC000834044161 605722443 /nfs/dbraw/zinc/72/24/43/605722443.db2.gz AHOSKOAVRSSOED-SMDDNHRTSA-N -1 0 365.817 3.074 20 50 FGGDRM C[C@H](SCC(=O)NNc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000833542885 605774924 /nfs/dbraw/zinc/77/49/24/605774924.db2.gz MAKLJAVYTWHULG-NSHDSACASA-N -1 0 370.434 3.199 20 50 FGGDRM O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2c(Cl)cccc2Cl)CC1 ZINC000834048892 605953300 /nfs/dbraw/zinc/95/33/00/605953300.db2.gz UZQPJRJZGBUAQW-VIFPVBQESA-N -1 0 358.225 3.217 20 50 FGGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ccccc1Cl ZINC000834251914 605963503 /nfs/dbraw/zinc/96/35/03/605963503.db2.gz UMAIFCDIHAUJQW-INIZCTEOSA-N -1 0 372.812 3.143 20 50 FGGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1cccc(Br)c1 ZINC000834275009 606073939 /nfs/dbraw/zinc/07/39/39/606073939.db2.gz WTKYYRHKPSJZCX-UHFFFAOYSA-N -1 0 364.199 3.225 20 50 FGGDRM CCO[C@@H](C)c1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000829907475 600973653 /nfs/dbraw/zinc/97/36/53/600973653.db2.gz IMDKQSWXGBHDHN-QMMMGPOBSA-N -1 0 366.351 3.066 20 50 FGGDRM Cc1cc(/C=C(\C#N)C(=O)NCC(C)(C)C(=O)[O-])c(C)n1CCC(C)C ZINC000832880371 601710189 /nfs/dbraw/zinc/71/01/89/601710189.db2.gz CKWDXGKJMJXOOI-LICLKQGHSA-N -1 0 359.470 3.285 20 50 FGGDRM Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1NC(=O)[O-] ZINC000830225290 603657828 /nfs/dbraw/zinc/65/78/28/603657828.db2.gz JSOFSBRDZBUWSF-UHFFFAOYSA-N -1 0 354.288 3.256 20 50 FGGDRM COc1ccc(NC(=O)/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000829442444 603809594 /nfs/dbraw/zinc/80/95/94/603809594.db2.gz NDAANNKJFWNHAT-PTNGSMBKSA-N -1 0 363.373 3.281 20 50 FGGDRM COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)NNC(=O)[O-])c1 ZINC000829543292 604163247 /nfs/dbraw/zinc/16/32/47/604163247.db2.gz HQXARHCRIFRCEZ-KRWDZBQOSA-N -1 0 357.410 3.078 20 50 FGGDRM CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000833662748 604799528 /nfs/dbraw/zinc/79/95/28/604799528.db2.gz ANDDTOSOLVSPAM-RAXLEYEMSA-N -1 0 352.346 3.035 20 50 FGGDRM CCCc1c(C(=O)NNc2cccc3cnccc32)[nH]c(C)c1C(=O)[O-] ZINC000833653178 604939602 /nfs/dbraw/zinc/93/96/02/604939602.db2.gz OXRHJHOZHKBEIE-UHFFFAOYSA-N -1 0 352.394 3.279 20 50 FGGDRM O=C([O-])NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000832748932 605187945 /nfs/dbraw/zinc/18/79/45/605187945.db2.gz WWJGLUTTWAYBHI-UHFFFAOYSA-N -1 0 356.769 3.105 20 50 FGGDRM CC(C)[C@H]1C[C@@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000833470207 605247191 /nfs/dbraw/zinc/24/71/91/605247191.db2.gz ILJUHRRJRJYCCL-XHDPSFHLSA-N -1 0 354.834 3.323 20 50 FGGDRM CC[C@@H](C(=O)NN=C(C)c1ccccc1OCC(=O)[O-])c1ccccc1 ZINC000833636188 605331177 /nfs/dbraw/zinc/33/11/77/605331177.db2.gz KXXDFGCYGDFDNL-MRXNPFEDSA-N -1 0 354.406 3.184 20 50 FGGDRM C/C(=C/C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000833385917 605345469 /nfs/dbraw/zinc/34/54/69/605345469.db2.gz YBCHMVJEPAUZPN-NTMALXAHSA-N -1 0 372.289 3.210 20 50 FGGDRM O=C([O-])N[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000834252059 605736327 /nfs/dbraw/zinc/73/63/27/605736327.db2.gz YAMOBQXLPKYRMI-CYBMUJFWSA-N -1 0 353.300 3.157 20 50 FGGDRM N#CC(=Cc1ccc(C(=O)[O-])[nH]1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000833062518 601331117 /nfs/dbraw/zinc/33/11/17/601331117.db2.gz CLZYIEDSKPNULP-CLFYSBASSA-N -1 0 366.402 3.366 20 50 FGGDRM Cc1cc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)c(C)n1CC(F)(F)F ZINC000832859294 601331732 /nfs/dbraw/zinc/33/17/32/601331732.db2.gz OJHVVWFGTNQPTJ-WDZFZDKYSA-N -1 0 365.311 3.483 20 50 FGGDRM COc1ccc([C@H](C)CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000832221230 601447921 /nfs/dbraw/zinc/44/79/21/601447921.db2.gz WLHSIEUBZMEJQO-LLVKDONJSA-N -1 0 359.334 3.401 20 50 FGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)n1CCC(C)C ZINC000832880737 601589800 /nfs/dbraw/zinc/58/98/00/601589800.db2.gz GLICIXNCGHERLE-LTXFRBGYSA-N -1 0 357.454 3.037 20 50 FGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000832880855 601595266 /nfs/dbraw/zinc/59/52/66/601595266.db2.gz HVFMIHFGBSTCMW-DPWKNNTCSA-N -1 0 369.465 3.497 20 50 FGGDRM CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C)C(=O)[O-] ZINC000828906394 601749624 /nfs/dbraw/zinc/74/96/24/601749624.db2.gz GXAZPFSHJGGNBC-IUYQLWOBSA-N -1 0 369.396 3.120 20 50 FGGDRM CC[C@H](NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000828907085 601752023 /nfs/dbraw/zinc/75/20/23/601752023.db2.gz PPMQFFCGTGEOLK-QMJOVRGKSA-N -1 0 357.454 3.497 20 50 FGGDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NNc1ccc(Cl)nc1 ZINC000829187887 604030536 /nfs/dbraw/zinc/03/05/36/604030536.db2.gz QCBNQUOFMXWJIP-UHFFFAOYSA-N -1 0 371.180 3.244 20 50 FGGDRM Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2CC(=O)[O-])c(C)n1CC(C)C ZINC000832881284 604605855 /nfs/dbraw/zinc/60/58/55/604605855.db2.gz OCWNFKIGVMIWQP-ZTXRYZOMSA-N -1 0 357.454 3.134 20 50 FGGDRM CCn1cc(CC(=O)NNc2ccc(C(=O)[O-])cc2OC)c2ccccc21 ZINC000833682697 604648693 /nfs/dbraw/zinc/64/86/93/604648693.db2.gz SOHKUSMXYBVOBE-UHFFFAOYSA-N -1 0 367.405 3.054 20 50 FGGDRM CC(C)(C)c1ccc(C(=O)NNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000833450552 604664927 /nfs/dbraw/zinc/66/49/27/604664927.db2.gz VCYJJHBUZBASDB-UHFFFAOYSA-N -1 0 368.433 3.076 20 50 FGGDRM C[C@H](Sc1ccccc1C(=O)NNc1ccc(F)c(F)c1F)C(=O)[O-] ZINC000833546033 604937675 /nfs/dbraw/zinc/93/76/75/604937675.db2.gz OLADFQCGQNNDRG-QMMMGPOBSA-N -1 0 370.352 3.426 20 50 FGGDRM CC(C)CCOc1ccc(C(=O)NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1 ZINC000833483597 605038553 /nfs/dbraw/zinc/03/85/53/605038553.db2.gz DHNFOUQPZGUMGB-HNNXBMFYSA-N -1 0 371.437 3.323 20 50 FGGDRM Cc1cc(F)cc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000833744970 605246462 /nfs/dbraw/zinc/24/64/62/605246462.db2.gz NEIIGSIZNDFIIA-UHFFFAOYSA-N -1 0 367.720 3.151 20 50 FGGDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833540772 605260602 /nfs/dbraw/zinc/26/06/02/605260602.db2.gz XKMOVGOMVQUKCX-VIFPVBQESA-N -1 0 352.749 3.088 20 50 FGGDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833540771 605260652 /nfs/dbraw/zinc/26/06/52/605260652.db2.gz XKMOVGOMVQUKCX-SECBINFHSA-N -1 0 352.749 3.088 20 50 FGGDRM O=C([O-])N[C@H](CC(=O)NN=c1ccc2ccccc2[nH]1)c1ccccc1 ZINC000834128660 605322853 /nfs/dbraw/zinc/32/28/53/605322853.db2.gz VAGJAKDDYRDZOI-MRXNPFEDSA-N -1 0 350.378 3.077 20 50 FGGDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(Br)s1 ZINC000824758975 605460773 /nfs/dbraw/zinc/46/07/73/605460773.db2.gz FZUGVKOWBOTATB-VIFPVBQESA-N -1 0 374.260 3.149 20 50 FGGDRM O=C([O-])Nc1ccccc1C(=O)NNc1ccccc1Br ZINC000834270052 605718261 /nfs/dbraw/zinc/71/82/61/605718261.db2.gz ZQZWENKINCMAIY-UHFFFAOYSA-N -1 0 350.172 3.296 20 50 FGGDRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1cc(Cl)ccc1O ZINC000834044158 605722640 /nfs/dbraw/zinc/72/26/40/605722640.db2.gz AHOSKOAVRSSOED-BXUZGUMPSA-N -1 0 365.817 3.074 20 50 FGGDRM COc1ccc(/C=C(/C#N)C(=O)OCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833732003 605809186 /nfs/dbraw/zinc/80/91/86/605809186.db2.gz GQQGHEQPDILANR-ZSOIEALJSA-N -1 0 355.321 3.183 20 50 FGGDRM O=C([O-])Nc1cccc(CC(=O)NNc2cccc(C(F)(F)F)c2)c1 ZINC000834266512 605834160 /nfs/dbraw/zinc/83/41/60/605834160.db2.gz BZOHQCKXQPQNPZ-UHFFFAOYSA-N -1 0 353.300 3.481 20 50 FGGDRM O=C([O-])[C@@H](NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000833149102 600747370 /nfs/dbraw/zinc/74/73/70/600747370.db2.gz DZSYDCCAIHNGPK-ZDUSSCGKSA-N -1 0 357.168 3.193 20 50 FGGDRM O=C([O-])c1cc(OC(=O)c2ccc(OC3CCC3)cc2)ccc1[N+](=O)[O-] ZINC000833353529 600974056 /nfs/dbraw/zinc/97/40/56/600974056.db2.gz NZVUPUYPAJLHSY-UHFFFAOYSA-N -1 0 357.318 3.444 20 50 FGGDRM N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)c1ccc(Br)s1 ZINC000833064006 601790524 /nfs/dbraw/zinc/79/05/24/601790524.db2.gz OQQYJIYSYLVOEL-BAQGIRSFSA-N -1 0 351.181 3.327 20 50 FGGDRM O=C([O-])[C@H](NNC(=O)c1ccccc1F)c1cc(Cl)cc(Cl)c1 ZINC000833149473 601971637 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CC(C)(C)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000833450582 605773969 /nfs/dbraw/zinc/77/39/69/605773969.db2.gz WDWYPGWFMHZKLC-UHFFFAOYSA-N -1 0 357.366 3.347 20 50 FGGDRM O=C([O-])NCCCC(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl ZINC000834228752 605797851 /nfs/dbraw/zinc/79/78/51/605797851.db2.gz QBDMXGIOKRZALQ-UHFFFAOYSA-N -1 0 352.605 3.145 20 50 FGGDRM CCCCCCCCC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825272106 608573326 /nfs/dbraw/zinc/57/33/26/608573326.db2.gz VBYWNGXUSTVMGO-UHFFFAOYSA-N -1 0 351.842 3.109 20 50 FGGDRM N#CC(C#N)=CNc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000833063825 601350542 /nfs/dbraw/zinc/35/05/42/601350542.db2.gz MMUMKNJRHYKXPA-UHFFFAOYSA-N -1 0 370.988 3.253 20 50 FGGDRM N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000833064935 601445575 /nfs/dbraw/zinc/44/55/75/601445575.db2.gz YHJOUZYUASVTPL-UXBLZVDNSA-N -1 0 371.201 3.358 20 50 FGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)n1CCC(C)C ZINC000832880389 601520429 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FGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(CC)(CC)C(=O)[O-])c1C ZINC000833652004 605103630 /nfs/dbraw/zinc/10/36/30/605103630.db2.gz AKWIFKWNLUGPEN-GZTJUZNOSA-N -1 0 359.470 3.429 20 50 FGGDRM C[C@H](Oc1ccc(F)cc1)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833539070 605245574 /nfs/dbraw/zinc/24/55/74/605245574.db2.gz JYSKQLZULWTXNZ-VIFPVBQESA-N -1 0 352.749 3.088 20 50 FGGDRM COc1cccc(C=C(C#N)C(=O)OCc2cccc(NC(=O)[O-])c2)c1 ZINC000829550979 605539221 /nfs/dbraw/zinc/53/92/21/605539221.db2.gz WAOJBQNEPLBJIJ-NVNXTCNLSA-N -1 0 352.346 3.435 20 50 FGGDRM CC(C)C(=O)Nc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833466468 605704732 /nfs/dbraw/zinc/70/47/32/605704732.db2.gz GQDFNTPLLDGMJN-UHFFFAOYSA-N -1 0 356.382 3.128 20 50 FGGDRM Cn1cc(C(=O)NN=C2CCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c2ccccc21 ZINC000833943046 605722535 /nfs/dbraw/zinc/72/25/35/605722535.db2.gz FRJXJZZHNCYGPK-KBXCAEBGSA-N -1 0 368.437 3.207 20 50 FGGDRM O=C([O-])N[C@@H](C(=O)NNc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000834121791 605723505 /nfs/dbraw/zinc/72/35/05/605723505.db2.gz MTGJUNUXKQCTEP-CYBMUJFWSA-N -1 0 355.728 3.070 20 50 FGGDRM O=C([O-])c1cccc(NNC(=O)COc2ccc(Cl)c3cccnc23)c1 ZINC000833764293 605736012 /nfs/dbraw/zinc/73/60/12/605736012.db2.gz DHOKCWXEIPESKC-UHFFFAOYSA-N -1 0 371.780 3.109 20 50 FGGDRM O=C([O-])N[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000834251214 605736251 /nfs/dbraw/zinc/73/62/51/605736251.db2.gz HJVVEZOIWONPSU-ZDUSSCGKSA-N -1 0 369.299 3.037 20 50 FGGDRM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1cccc(Cl)c1 ZINC000834250242 605825390 /nfs/dbraw/zinc/82/53/90/605825390.db2.gz CFHOGGQQRCATAZ-INIZCTEOSA-N -1 0 372.812 3.143 20 50 FGGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(OC(F)F)cc1 ZINC000834271458 606073958 /nfs/dbraw/zinc/07/39/58/606073958.db2.gz ADTNILPXQADBON-UHFFFAOYSA-N -1 0 351.309 3.064 20 50 FGGDRM O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1F)c1cccc(Cl)c1 ZINC000833149151 601349888 /nfs/dbraw/zinc/34/98/88/601349888.db2.gz GOWOMEPKWMWPRX-ZDUSSCGKSA-N -1 0 357.168 3.193 20 50 FGGDRM C[C@H](OC1CCCCCC1)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000827878877 602144849 /nfs/dbraw/zinc/14/48/49/602144849.db2.gz FGKPOASNDGYDPQ-NSHDSACASA-N -1 0 351.355 3.326 20 50 FGGDRM CCOC(=O)c1csc(/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)n1 ZINC000827356114 603808536 /nfs/dbraw/zinc/80/85/36/603808536.db2.gz OUOVZLHAGKFTBF-JYRVWZFOSA-N -1 0 369.402 3.424 20 50 FGGDRM C[C@H](Sc1ccccc1C(=O)NN=c1nc[nH]c2ccsc21)C(=O)[O-] ZINC000827916917 604424712 /nfs/dbraw/zinc/42/47/12/604424712.db2.gz WTRDXMVIYOJKTJ-VIFPVBQESA-N -1 0 374.447 3.013 20 50 FGGDRM COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833733023 604692230 /nfs/dbraw/zinc/69/22/30/604692230.db2.gz ZJRUKFVETFAXIK-OVCLIPMQSA-N -1 0 355.321 3.183 20 50 FGGDRM O=C([O-])c1ccc(=NNC(=O)COc2ccc(Cl)c3ccccc23)[nH]c1 ZINC000833764624 604803779 /nfs/dbraw/zinc/80/37/79/604803779.db2.gz MULAUSJUESDCLY-UHFFFAOYSA-N -1 0 371.780 3.109 20 50 FGGDRM C[C@@H](Sc1ccccc1C(=O)NNc1ccc(F)cc1F)C(=O)[O-] ZINC000833545055 604937720 /nfs/dbraw/zinc/93/77/20/604937720.db2.gz CWCDXVRMNCNVQI-SECBINFHSA-N -1 0 352.362 3.287 20 50 FGGDRM O=C([O-])c1cc(OC(=O)c2cnc(-c3cccnc3)s2)ccc1[N+](=O)[O-] ZINC000833785583 604970625 /nfs/dbraw/zinc/97/06/25/604970625.db2.gz FWCVSGRJLPASLD-UHFFFAOYSA-N -1 0 371.330 3.031 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000833764675 605260973 /nfs/dbraw/zinc/26/09/73/605260973.db2.gz ONBUDJOZGAFONE-UHFFFAOYSA-N -1 0 355.177 3.214 20 50 FGGDRM O=C([O-])Nc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1 ZINC000834270000 605736564 /nfs/dbraw/zinc/73/65/64/605736564.db2.gz LTHPUHFEMGNXLE-UHFFFAOYSA-N -1 0 355.272 3.432 20 50 FGGDRM Cc1cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])ccc1NC(=O)[O-] ZINC000829961989 605886591 /nfs/dbraw/zinc/88/65/91/605886591.db2.gz QZNFVJABPCJOLE-UHFFFAOYSA-N -1 0 364.745 3.403 20 50 FGGDRM O=C([O-])N1CCCC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1 ZINC000834045612 605990622 /nfs/dbraw/zinc/99/06/22/605990622.db2.gz RHZCHHOJNHXBBE-UHFFFAOYSA-N -1 0 371.393 3.108 20 50 FGGDRM Cc1cc(C(=O)NN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c(C)o1 ZINC000832864957 600733151 /nfs/dbraw/zinc/73/31/51/600733151.db2.gz YICJJOQLIZSMJM-ZDUSSCGKSA-N -1 0 357.193 3.264 20 50 FGGDRM COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832272123 601064917 /nfs/dbraw/zinc/06/49/17/601064917.db2.gz BNKUDQDYNZEREE-JIIJFUIFSA-N -1 0 355.321 3.110 20 50 FGGDRM O=C([O-])c1cc(OC(=O)C2CC(OCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000833300818 601270078 /nfs/dbraw/zinc/27/00/78/601270078.db2.gz NELFDQBVABHEPF-UHFFFAOYSA-N -1 0 371.345 3.194 20 50 FGGDRM C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN[C@H](C(=O)[O-])c1ccccc1 ZINC000827896744 601453438 /nfs/dbraw/zinc/45/34/38/601453438.db2.gz ZFXZLBWFRRZNHV-KUHUBIRLSA-N -1 0 364.401 3.054 20 50 FGGDRM Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)C(=O)[O-])c(C)n1CCC(C)C ZINC000832880372 601710237 /nfs/dbraw/zinc/71/02/37/601710237.db2.gz CKWDXGKJMJXOOI-YVLHZVERSA-N -1 0 359.470 3.285 20 50 FGGDRM CCc1[nH]c(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000830196500 602272539 /nfs/dbraw/zinc/27/25/39/602272539.db2.gz LNWWGHMVDLNANJ-UHFFFAOYSA-N -1 0 371.315 3.239 20 50 FGGDRM CN(C(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2)C1CCCCC1 ZINC000827730461 603808458 /nfs/dbraw/zinc/80/84/58/603808458.db2.gz INTMPIYFICQYFN-VBKFSLOCSA-N -1 0 353.422 3.425 20 50 FGGDRM C[C@@H](Sc1ccccc1C(=O)NNc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000833545111 604939072 /nfs/dbraw/zinc/93/90/72/604939072.db2.gz DLCBGVTYGMBAAW-MRVPVSSYSA-N -1 0 370.352 3.426 20 50 FGGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)CSc1ccc(Cl)cc1 ZINC000833408281 605038490 /nfs/dbraw/zinc/03/84/90/605038490.db2.gz RZHSSTDOEYUBSF-NSHDSACASA-N -1 0 365.842 3.030 20 50 FGGDRM CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(Br)s1 ZINC000824758974 605460318 /nfs/dbraw/zinc/46/03/18/605460318.db2.gz FZUGVKOWBOTATB-SECBINFHSA-N -1 0 374.260 3.149 20 50 FGGDRM CC(C)n1ncc2cc(NC(=O)NNc3cccc(C(=O)[O-])c3)ccc21 ZINC000833513703 605711073 /nfs/dbraw/zinc/71/10/73/605711073.db2.gz JXAHPODXAPMSKB-UHFFFAOYSA-N -1 0 353.382 3.464 20 50 FGGDRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1 ZINC000834046220 605721269 /nfs/dbraw/zinc/72/12/69/605721269.db2.gz YZRNYPXPCIWARM-KBXCAEBGSA-N -1 0 366.421 3.263 20 50 FGGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000833520930 605743824 /nfs/dbraw/zinc/74/38/24/605743824.db2.gz KQPATBUMHFXDBD-GFCCVEGCSA-N -1 0 366.377 3.427 20 50 FGGDRM O=C([O-])[C@@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1F ZINC000833095996 600733570 /nfs/dbraw/zinc/73/35/70/600733570.db2.gz WFGMDOLMDLUPCA-HLJROMEYSA-N -1 0 360.429 3.179 20 50 FGGDRM CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000830064088 601818461 /nfs/dbraw/zinc/81/84/61/601818461.db2.gz NQXJYZFPPGCSPH-GHRIWEEISA-N -1 0 356.422 3.096 20 50 FGGDRM CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000829441512 602019617 /nfs/dbraw/zinc/01/96/17/602019617.db2.gz VXTKZTOFRRYKOT-FVECTHPASA-N -1 0 357.454 3.135 20 50 FGGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1)C(=O)[O-] ZINC000827884588 602097799 /nfs/dbraw/zinc/09/77/99/602097799.db2.gz STOZWBNVXLQJGF-QXPQOBGOSA-N -1 0 356.422 3.237 20 50 FGGDRM Cc1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1NC(=O)[O-] ZINC000830224936 603653868 /nfs/dbraw/zinc/65/38/68/603653868.db2.gz DFWHYTFUWKVBAO-UHFFFAOYSA-N -1 0 354.288 3.256 20 50 FGGDRM CN(C(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2)C1CCCCC1 ZINC000827730460 603808244 /nfs/dbraw/zinc/80/82/44/603808244.db2.gz INTMPIYFICQYFN-FOWTUZBSSA-N -1 0 353.422 3.425 20 50 FGGDRM COc1ccccc1NC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2 ZINC000829639014 603809606 /nfs/dbraw/zinc/80/96/06/603809606.db2.gz WRRBSBYOGPZRLZ-RVDMUPIBSA-N -1 0 363.373 3.281 20 50 FGGDRM O=C([O-])NNC(=O)N[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000832748639 604207460 /nfs/dbraw/zinc/20/74/60/604207460.db2.gz OQLGVQBMGFAEQP-CYBMUJFWSA-N -1 0 355.728 3.189 20 50 FGGDRM CC(=NNC(=O)CCCc1cccs1)c1ccccc1OCC(=O)[O-] ZINC000833384846 605330058 /nfs/dbraw/zinc/33/00/58/605330058.db2.gz NXQCHHXLQWCBAD-UHFFFAOYSA-N -1 0 360.435 3.075 20 50 FGGDRM CCCn1c(C)cc(/C=C(/C#N)C(=O)NNc2ccccc2C(=O)[O-])c1C ZINC000833653019 605722333 /nfs/dbraw/zinc/72/23/33/605722333.db2.gz RTQBRCZELUZNDX-WJDWOHSUSA-N -1 0 366.421 3.263 20 50 FGGDRM CC(C)(C)OC(=O)c1cccc(C(=O)NNc2ccccc2C(=O)[O-])c1 ZINC000833444076 605723413 /nfs/dbraw/zinc/72/34/13/605723413.db2.gz LUUSTKDNVSYRNT-UHFFFAOYSA-N -1 0 356.378 3.097 20 50 FGGDRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833421775 605732640 /nfs/dbraw/zinc/73/26/40/605732640.db2.gz CPTDBQRYQGYHNI-UHFFFAOYSA-N -1 0 373.384 3.265 20 50 FGGDRM O=C([O-])Nc1ccc(C(=O)NNc2ccccc2Br)c(O)c1 ZINC000834257844 605764075 /nfs/dbraw/zinc/76/40/75/605764075.db2.gz PUFLDMJSAOLSKY-UHFFFAOYSA-N -1 0 366.171 3.002 20 50 FGGDRM COc1ccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833732002 605809316 /nfs/dbraw/zinc/80/93/16/605809316.db2.gz GQQGHEQPDILANR-RIYZIHGNSA-N -1 0 355.321 3.183 20 50 FGGDRM O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccnc3cc(Cl)ccc32)CC1 ZINC000834050514 605817786 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20 50 FGGDRM Cc1ccccc1C(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832977586 601971013 /nfs/dbraw/zinc/97/10/13/601971013.db2.gz UYEDHOHHTYDBRT-CQSZACIVSA-N -1 0 353.205 3.362 20 50 FGGDRM COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)NNC(=O)[O-])c1 ZINC000829543293 604163450 /nfs/dbraw/zinc/16/34/50/604163450.db2.gz HQXARHCRIFRCEZ-QGZVFWFLSA-N -1 0 357.410 3.078 20 50 FGGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNc1ccccc1C(F)(F)F)C2 ZINC000831742643 604210065 /nfs/dbraw/zinc/21/00/65/604210065.db2.gz MKCHEUYLCDCPAV-FGWVZKOKSA-N -1 0 372.347 3.005 20 50 FGGDRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)NNc1ccc(Cl)cc1Cl)C2 ZINC000831742890 604210146 /nfs/dbraw/zinc/21/01/46/604210146.db2.gz UXQPOHBMSSOHDN-FGWVZKOKSA-N -1 0 373.240 3.293 20 50 FGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2CC(=O)[O-])c1C ZINC000829440022 604573194 /nfs/dbraw/zinc/57/31/94/604573194.db2.gz HZOLOWBDCZKTKP-PNDHZVEESA-N -1 0 357.454 3.278 20 50 FGGDRM CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)[O-])c2O)c1C ZINC000833652020 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O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2cc(Cl)ccc2Cl)CC1 ZINC000834046562 605939751 /nfs/dbraw/zinc/93/97/51/605939751.db2.gz AFQUKACWGDAZQX-SNVBAGLBSA-N -1 0 358.225 3.217 20 50 FGGDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[C@H]1CCSS1 ZINC000834095700 605971023 /nfs/dbraw/zinc/97/10/23/605971023.db2.gz WUZPTQDRQCQFCI-RDBSUJKOSA-N -1 0 358.529 3.444 20 50 FGGDRM O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000834274467 606048927 /nfs/dbraw/zinc/04/89/27/606048927.db2.gz NYFAOGKHXNKPOK-UHFFFAOYSA-N -1 0 364.745 3.024 20 50 FGGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C[C@H]2CCCC(C)(C)C2)o1 ZINC000824358499 607889144 /nfs/dbraw/zinc/88/91/44/607889144.db2.gz LXTJOAJORLGOAS-LLVKDONJSA-N -1 0 361.450 3.028 20 50 FGGDRM O=C([O-])c1cc(OC(=O)Cc2coc3cc(F)ccc23)ccc1[N+](=O)[O-] ZINC000833119691 601127679 /nfs/dbraw/zinc/12/76/79/601127679.db2.gz FVRZFFLTWKCOQB-UHFFFAOYSA-N -1 0 359.265 3.326 20 50 FGGDRM COc1cccc([C@@H](C)CC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000832533775 601803910 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FGGDRM C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cc2c(s1)CCCCC2 ZINC000833405547 605038810 /nfs/dbraw/zinc/03/88/10/605038810.db2.gz FOGAJUBYRFGUBA-LBPRGKRZSA-N -1 0 359.451 3.228 20 50 FGGDRM CCC(CC)n1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C ZINC000833641573 605149254 /nfs/dbraw/zinc/14/92/54/605149254.db2.gz GOAUIUHHRYCMSZ-UHFFFAOYSA-N -1 0 361.354 3.378 20 50 FGGDRM CCc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000833669994 605246104 /nfs/dbraw/zinc/24/61/04/605246104.db2.gz OQYAUZXYCZLWDV-UHFFFAOYSA-N -1 0 363.757 3.266 20 50 FGGDRM O=C([O-])Nc1ccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000834257389 605738194 /nfs/dbraw/zinc/73/81/94/605738194.db2.gz YOYRXULJHQITJE-UHFFFAOYSA-N -1 0 364.745 3.024 20 50 FGGDRM C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000833522032 605741435 /nfs/dbraw/zinc/74/14/35/605741435.db2.gz WGCIADKDJZMAER-SNVBAGLBSA-N -1 0 365.336 3.374 20 50 FGGDRM CC(C)(C)[C@@H](Br)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833422463 605778815 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Cc1ccc(-c2nc(C)c(C(=O)NNc3cccc(C(=O)[O-])c3)s2)o1 ZINC000833746860 605734154 /nfs/dbraw/zinc/73/41/54/605734154.db2.gz SFXUFOZWANMCLZ-UHFFFAOYSA-N -1 0 357.391 3.475 20 50 FGGDRM Cc1cccc(NC(=S)NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000830522661 605804563 /nfs/dbraw/zinc/80/45/63/605804563.db2.gz UHPOQNGPAJBGMI-UHFFFAOYSA-N -1 0 358.423 3.025 20 50 FGGDRM O=C([O-])Nc1cccc(CC(=O)NNc2ccc(OC(F)F)cc2)c1 ZINC000834266911 605835024 /nfs/dbraw/zinc/83/50/24/605835024.db2.gz LMAUPQKRGSDOEQ-UHFFFAOYSA-N -1 0 351.309 3.064 20 50 FGGDRM COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829224316 602805063 /nfs/dbraw/zinc/80/50/63/602805063.db2.gz HVBQRUXKIKPABY-ZBEGNZNMSA-N -1 0 374.349 3.154 20 50 FGGDRM CSc1cccc([C@@H](NC(=O)NNC(=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000829772242 603436399 /nfs/dbraw/zinc/43/63/99/603436399.db2.gz QVQAMQSJCZJXSF-CQSZACIVSA-N -1 0 367.377 3.258 20 50 FGGDRM COc1ccc([C@H](NC(=O)NNC(=O)[O-])c2ccccc2Cl)c(C)c1 ZINC000829311670 603437660 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FGGDRM O=C([O-])c1cc(OC(=O)Cc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000833118914 604390448 /nfs/dbraw/zinc/39/04/48/604390448.db2.gz VRABGUMIPYCZNK-UHFFFAOYSA-N -1 0 353.689 3.234 20 50 FGGDRM CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000833662747 604799344 /nfs/dbraw/zinc/79/93/44/604799344.db2.gz ANDDTOSOLVSPAM-JLHYYAGUSA-N -1 0 352.346 3.035 20 50 FGGDRM Cc1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c(C)n1-c1ccccc1C ZINC000833753365 604807624 /nfs/dbraw/zinc/80/76/24/604807624.db2.gz RGTXJZHBCSOELV-UHFFFAOYSA-N -1 0 364.405 3.253 20 50 FGGDRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccccc1C(=O)[O-] ZINC000833541583 605258315 /nfs/dbraw/zinc/25/83/15/605258315.db2.gz BZPIZIOFHFYEJW-SNVBAGLBSA-N -1 0 368.311 3.314 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000833765314 605282582 /nfs/dbraw/zinc/28/25/82/605282582.db2.gz HOYDQFGODAPYFK-UHFFFAOYSA-N -1 0 371.393 3.333 20 50 FGGDRM O=C([O-])NC[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000834211952 605665154 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O=C([O-])NNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000833280656 601047193 /nfs/dbraw/zinc/04/71/93/601047193.db2.gz ORYBVCHYSQPZFK-UHFFFAOYSA-N -1 0 356.260 3.197 20 50 FGGDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000833186248 601240446 /nfs/dbraw/zinc/24/04/46/601240446.db2.gz CABFENRIJZVHJB-BDAKNGLRSA-N -1 0 372.171 3.154 20 50 FGGDRM N#CC(=Cc1ccc(C(=O)[O-])[nH]1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000833062519 601330955 /nfs/dbraw/zinc/33/09/55/601330955.db2.gz CLZYIEDSKPNULP-VQHVLOKHSA-N -1 0 366.402 3.366 20 50 FGGDRM Cc1cc(/C=C(/C#N)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)n1CC(C)C ZINC000832881966 601520379 /nfs/dbraw/zinc/52/03/79/601520379.db2.gz XUGVHRJWUXYWHJ-QGEBHBTGSA-N -1 0 357.454 3.037 20 50 FGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000832880860 601595227 /nfs/dbraw/zinc/59/52/27/601595227.db2.gz HVFMIHFGBSTCMW-OXRZLYTFSA-N -1 0 369.465 3.497 20 50 FGGDRM Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830870359 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O=C([O-])N[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000834252145 605735993 /nfs/dbraw/zinc/73/59/93/605735993.db2.gz YAMOBQXLPKYRMI-ZDUSSCGKSA-N -1 0 353.300 3.157 20 50 FGGDRM CC(C)OCc1ccccc1CNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833505498 605740718 /nfs/dbraw/zinc/74/07/18/605740718.db2.gz MGEPYTMPWCSNNH-UHFFFAOYSA-N -1 0 357.410 3.136 20 50 FGGDRM C[C@@H](SCC(=O)NNc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000833542884 605774759 /nfs/dbraw/zinc/77/47/59/605774759.db2.gz MAKLJAVYTWHULG-LLVKDONJSA-N -1 0 370.434 3.199 20 50 FGGDRM Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)n1CC(C)C ZINC000832881969 601520439 /nfs/dbraw/zinc/52/04/39/601520439.db2.gz XUGVHRJWUXYWHJ-ZUPDTJCQSA-N -1 0 357.454 3.037 20 50 FGGDRM CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC(=O)[O-])C2CC2)c1C ZINC000829446559 601527364 /nfs/dbraw/zinc/52/73/64/601527364.db2.gz BZJPEQQNQIYMEB-DAIOKFOQSA-N -1 0 357.454 3.182 20 50 FGGDRM COc1cccc(/C=C(\C#N)C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832539333 601718220 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20 50 FGGDRM C[C@H](C(=O)NN=c1ccc2ccccc2[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833792013 605320970 /nfs/dbraw/zinc/32/09/70/605320970.db2.gz XUPNFWHKODJHOT-UGSOOPFHSA-N -1 0 364.405 3.323 20 50 FGGDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)C1 ZINC000834171484 605426896 /nfs/dbraw/zinc/42/68/96/605426896.db2.gz VHSGOJFBGAAKBZ-HTRCEHHLSA-N -1 0 350.177 3.012 20 50 FGGDRM CCCCCC[C@H](C)CC(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825271096 608579498 /nfs/dbraw/zinc/57/94/98/608579498.db2.gz GSNCFXGHKGDFGR-NSHDSACASA-N -1 0 365.869 3.355 20 50 FGGDRM O=C([O-])c1cc(OC(=O)[C@@H]2SCCc3sccc32)ccc1[N+](=O)[O-] ZINC000833301024 600974118 /nfs/dbraw/zinc/97/41/18/600974118.db2.gz SKEWEIAQBBTKTD-CYBMUJFWSA-N -1 0 365.388 3.291 20 50 FGGDRM Cc1cc(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000832898194 601210613 /nfs/dbraw/zinc/21/06/13/601210613.db2.gz GETHNDQGTZJBBR-WDEREUQCSA-N -1 0 355.232 3.092 20 50 FGGDRM CCc1oc(C(=O)[O-])cc1COC(=O)/C(C#N)=C/c1cccc(OC)c1 ZINC000830379092 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601818411 /nfs/dbraw/zinc/81/84/11/601818411.db2.gz NQXJYZFPPGCSPH-LGMDPLHJSA-N -1 0 356.422 3.096 20 50 FGGDRM COc1ccccc1C(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832588264 601974540 /nfs/dbraw/zinc/97/45/40/601974540.db2.gz CDJUABRBXNOMCN-CQSZACIVSA-N -1 0 369.204 3.062 20 50 FGGDRM C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1)C(=O)[O-] ZINC000827884586 602097593 /nfs/dbraw/zinc/09/75/93/602097593.db2.gz STOZWBNVXLQJGF-IZCBMXNHSA-N -1 0 356.422 3.237 20 50 FGGDRM C[C@H](CC(=O)[O-])C(=O)NNc1ccc(Br)cc1C(F)(F)F ZINC000827303148 602155950 /nfs/dbraw/zinc/15/59/50/602155950.db2.gz CBBWRZNCVDDIJE-ZCFIWIBFSA-N -1 0 369.137 3.022 20 50 FGGDRM COc1ccc2sc(C(=O)NNc3ccc(C(=O)[O-])cn3)c(C)c2c1 ZINC000833735149 604807564 /nfs/dbraw/zinc/80/75/64/604807564.db2.gz RUPSZEYXMUGKKN-UHFFFAOYSA-N -1 0 357.391 3.068 20 50 FGGDRM O=C([O-])N[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000834119277 605740138 /nfs/dbraw/zinc/74/01/38/605740138.db2.gz BNZMASBUSCPLSJ-CYBMUJFWSA-N -1 0 373.718 3.209 20 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FGGDRM O=C([O-])c1cc(OC(=O)c2cccc([C@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000833785787 604971010 /nfs/dbraw/zinc/97/10/10/604971010.db2.gz WUDNCZZDAODXJM-ZDUSSCGKSA-N -1 0 357.318 3.016 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000833764347 605260998 /nfs/dbraw/zinc/26/09/98/605260998.db2.gz HBVXQVCVHVHYDB-UHFFFAOYSA-N -1 0 355.177 3.214 20 50 FGGDRM C/C(=C\C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000833385915 605344820 /nfs/dbraw/zinc/34/48/20/605344820.db2.gz YBCHMVJEPAUZPN-CSKARUKUSA-N -1 0 372.289 3.210 20 50 FGGDRM CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC000833662984 605497082 /nfs/dbraw/zinc/49/70/82/605497082.db2.gz DIWQFTNCLFTLDS-LFIBNONCSA-N -1 0 351.358 3.434 20 50 FGGDRM O=C([O-])Nc1ccc(F)c(NC(=O)NNc2ccc(F)c(F)c2F)c1 ZINC000834262501 605658133 /nfs/dbraw/zinc/65/81/33/605658133.db2.gz USTVKHWIICMCGS-UHFFFAOYSA-N -1 0 358.251 3.482 20 50 FGGDRM O=C([O-])c1ccccc1NNC(=O)COc1c(Cl)cccc1Cl ZINC000833764926 605722341 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